data_2kok_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 2kok _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 ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.903 0.383 . . . . 75.54 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -111.31 130.11 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.102 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 tt -114.69 137.39 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 71.1 111.148 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.97 155.98 25.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.54 -138.97 5.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.33 176.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.365 . . . . 72.24 111.145 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -103.21 -25.84 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.873 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -91.08 61.91 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -156.95 141.23 16.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.944 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.19 -43.83 40.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -51.86 -48.07 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 64.53 111.134 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 57.4 mmm -51.91 -47.28 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 72.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -60.52 -42.42 96.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -64.36 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.862 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.96 -51.93 22.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 75.24 111.144 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.93 -40.23 88.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.86 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.17 -52.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -54.29 -53.42 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.65 -43.24 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.24 110.908 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.33 -41.12 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.897 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -67.43 -40.39 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.853 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -62.75 -16.99 60.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.94 19.28 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 63.21 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.44 140.24 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 74.32 111.115 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.59 116.38 28.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.867 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -117.72 127.95 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 75.43 110.954 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 m -84.54 114.53 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 75.32 111.19 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -76.96 115.55 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -124.24 123.76 40.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.813 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.54 146.59 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 73.34 110.847 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -51.68 -38.63 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.931 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -30.31 26.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 74.3 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.66 -47.42 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.907 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.43 -24.88 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.24 96.25 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 73.2 112.48 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 123.03 28.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 73.22 110.951 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.16 177.47 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.883 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.4 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.075 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.85 -51.42 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 71.42 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -47.73 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.137 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -50.58 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.912 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -57.72 -48.31 79.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 70.5 110.886 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -42.12 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.896 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -68.1 -51.63 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.888 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -26.64 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.936 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -82.48 -24.05 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.903 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.9 m -83.95 -33.33 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 72.44 111.169 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.24 158.04 65.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 60.02 111.132 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.14 41.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 74.41 112.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.45 -24.14 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.48 -30.52 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -111.96 27.39 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.82 -22.92 11.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 72.55 110.935 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.55 133.32 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.879 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 143.91 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 72.12 110.852 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -116.08 -18.21 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.19 29.84 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.89 -161.48 11.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 75.15 112.503 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -81.64 -31.58 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 74.54 111.144 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.3 p -52.87 -51.73 60.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.103 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -69.19 -36.34 77.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.02 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.4 -14.85 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.852 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -60.84 -52.63 64.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 75.4 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.25 159.1 85.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 75.04 110.942 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -176.43 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 72.42 112.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.11 -36.65 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.909 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -65.52 -51.44 59.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.26 -44.89 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.132 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -51.97 -30.15 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 70.2 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.9 t -99.14 -20.97 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.44 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.4 42.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.86 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.31 138.4 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.53 164.32 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.834 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.4 111.122 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.37 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 60.02 111.086 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m -53.74 -51.79 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.86 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.04 -56.25 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 63.42 111.054 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -51.59 -43.74 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.98 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.893 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.15 -36.79 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.11 110.929 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 35.3 mmt -72.36 -43.4 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.88 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -35.6 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 74.33 110.91 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.0 -48.18 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.075 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.75 77.19 51.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 74.41 110.89 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 72.13 112.369 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -63.82 -16.23 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 60.53 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.3 ptm -90.95 -14.82 30.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.87 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.7 t -51.03 144.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.44 111.125 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -50.63 153.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.869 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -171.16 155.92 4.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 73.52 110.848 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.79 169.05 65.37 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 -1.817 . . . . 74.15 112.344 0.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.0 t -127.61 133.71 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 75.11 111.166 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.3 126.92 53.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.934 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -113.93 121.39 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 64.52 110.882 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.45 112.13 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 74.21 110.87 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 59.92 31.51 20.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.53 -45.03 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 55.32 112.487 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -56.53 124.15 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 75.24 110.867 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.9 tt -99.15 143.25 29.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.938 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.3 ttp -130.32 149.67 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.932 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.87 142.54 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.108 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 147.27 49.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.492 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.5 155.97 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 74.21 110.868 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -63.32 160.69 39.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.551 0.691 . . . . 74.02 110.958 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 72.25 112.354 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.1 81.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 74.33 111.052 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.36 -49.51 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 64.11 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.87 -42.46 72.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.901 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.55 -50.51 36.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 54.12 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.69 64.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.106 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -82.67 -59.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.921 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.902 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.91 0.386 . . . . 75.54 111.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -122.06 131.73 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.118 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -114.72 137.38 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.1 111.165 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -109.19 139.31 44.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.97 -168.49 24.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 pt -130.57 176.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.24 111.117 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -108.35 175.59 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.873 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.63 26.36 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 73.35 110.821 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -121.4 -176.87 3.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.823 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -120.89 -33.53 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.04 110.828 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -51.48 -51.3 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.109 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.0 mtp -52.22 -32.52 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.839 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -60.3 -51.79 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.881 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -65.46 -43.35 90.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.35 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.59 85.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.102 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.31 -49.4 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 73.42 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mt -59.67 -36.16 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.11 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.74 -51.2 43.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 74.25 110.92 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.39 -47.3 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 74.24 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.35 -34.51 76.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.92 -46.21 90.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.865 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -72.79 -16.99 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 42.46 8.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.768 . . . . 63.21 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.42 140.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 74.32 111.084 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -80.48 115.05 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.825 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -136.31 128.27 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.942 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -88.09 117.04 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 75.32 111.169 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -77.14 122.24 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.885 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.49 120.39 28.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.808 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.31 142.67 30.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -56.44 -29.78 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.891 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -92.7 -54.91 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 74.3 110.95 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -53.98 -27.63 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.904 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.14 -32.93 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.35 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.31 160.72 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 73.2 112.529 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.81 123.43 16.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 73.22 110.896 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.87 162.64 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.21 110.835 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.06 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.16 -50.0 62.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 71.42 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -50.61 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.181 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -55.15 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -53.25 -51.26 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.915 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -56.31 -37.58 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.845 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -72.4 -39.29 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.896 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -33.37 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 73.23 110.932 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -71.18 -25.72 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.904 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 m -92.12 -33.17 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.32 133.35 13.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.539 0.685 . . . . 60.02 111.193 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 144.59 53.98 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 74.41 112.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -56.36 -25.1 48.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -32.84 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -122.59 23.85 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.5 110.915 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -116.1 -17.21 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.55 110.891 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 149.46 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.927 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.34 143.59 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.53 -47.98 3.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 27.51 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.12 111.096 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.46 160.0 22.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 75.15 112.47 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -51.82 -34.29 39.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 74.54 111.1 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.183 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -76.0 -34.78 59.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.904 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -20.85 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.83 -25.41 66.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.848 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.81 157.92 48.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 75.04 110.92 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 178.82 4.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 72.42 112.369 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -71.3 -36.08 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.26 -51.72 49.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.76 -33.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 71.3 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.91 -25.7 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 t -98.29 -23.47 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 72.44 110.945 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -93.26 42.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 74.32 110.951 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.76 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.14 111.073 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -129.61 170.18 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.876 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.35 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.053 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -58.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 60.02 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -53.99 -51.66 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.861 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.06 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 63.42 111.162 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -56.94 -44.05 82.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.79 -46.83 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.27 -49.34 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.914 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -32.7 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.891 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.94 -55.6 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.864 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.02 -25.17 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.095 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.57 74.37 75.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.624 0.726 . . . . 74.41 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 2.215 . . . . 72.13 112.429 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 p -58.13 -23.68 55.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.834 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -19.22 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t -57.11 142.75 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.201 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 162.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.887 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.54 159.63 2.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 73.52 110.825 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.7 Cg_endo -69.73 153.34 92.85 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.757 -1.768 . . . . 74.15 112.264 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.1 t -115.29 141.79 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.09 122.93 49.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.8 117.85 34.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.52 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 109.8 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.875 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 54.62 28.74 10.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 73.03 110.851 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 -43.07 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 55.32 112.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -54.92 134.46 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 75.24 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.97 137.19 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.95 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.5 mtp -131.57 142.82 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.851 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -93.37 142.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.082 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 164.73 24.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 74.34 112.47 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -136.91 154.41 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 74.21 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -52.5 160.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.551 0.691 . . . . 74.02 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.692 2.262 . . . . 72.25 112.385 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.37 81.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.074 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.17 -49.0 48.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 64.11 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.26 -42.07 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.52 110.935 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.6 -50.41 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 54.12 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.7 -31.33 68.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.118 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.15 -36.28 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.017 0.436 . . . . 72.22 110.995 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.816 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.9 0.381 . . . . 75.54 111.101 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -119.44 138.91 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.139 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -114.85 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 71.1 111.13 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -106.33 133.64 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.918 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.32 21.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 61.14 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -136.34 173.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 72.24 111.146 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.64 35.95 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.942 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -142.75 45.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.894 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -155.8 166.41 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.35 -34.19 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.888 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.5 m -51.74 -36.93 49.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.165 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.06 65.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.834 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -57.21 -51.22 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -59.8 -43.01 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.859 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 75.24 111.162 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -60.07 -48.23 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.813 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.6 mt -58.31 -36.35 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.162 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -55.95 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.907 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -38.96 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.93 -44.24 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.839 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.34 -16.96 64.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 71.45 110.863 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.57 37.84 19.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 63.21 112.497 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -107.19 146.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 74.32 111.199 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.59 106.38 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.869 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.64 134.63 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.92 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.7 110.47 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 75.32 111.177 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -77.09 120.84 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.58 123.17 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.853 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.56 151.47 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.809 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -54.77 -29.41 53.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.834 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -90.93 -51.38 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.858 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -47.52 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.888 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.62 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.971 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.33 96.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 73.2 112.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.04 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 73.22 110.922 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -117.39 168.75 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.839 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.25 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.16 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.17 -50.98 67.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.848 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -51.44 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.133 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -49.74 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.96 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.18 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.899 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.78 -39.74 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -71.97 -32.1 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -37.22 74.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.909 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.86 -44.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.926 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -74.64 -26.75 60.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 72.44 111.142 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.36 133.33 9.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 60.02 111.082 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 138.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.606 2.204 . . . . 74.41 112.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -54.05 -28.32 38.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.909 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -35.48 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.9 29.07 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.866 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 72.55 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.91 149.77 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.27 143.99 17.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.854 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 -53.33 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.03 -21.33 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.059 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.69 149.04 8.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 75.15 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.2 p -53.15 -32.98 50.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 74.54 111.106 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -37.44 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.01 111.2 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -77.93 -34.85 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -76.4 -5.55 47.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.898 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -84.35 157.22 62.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 75.04 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 178.75 4.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.686 2.258 . . . . 72.42 112.431 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.4 -35.14 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 75.12 110.889 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -67.96 -51.83 43.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.85 -30.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 71.3 111.097 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -81.97 -24.78 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 70.2 110.874 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -84.2 -24.4 30.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.842 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.51 20.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.37 129.67 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 64.14 111.159 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -128.59 -176.62 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.945 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -56.51 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 74.4 111.072 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.89 -58.34 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 60.02 111.109 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -54.27 -48.93 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.829 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.2 -46.61 62.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 63.42 111.121 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -66.21 -38.6 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.794 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.74 -48.56 74.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.04 -51.98 65.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.11 110.909 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -32.56 72.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.872 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.82 -54.27 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.95 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.93 -48.32 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.41 111.112 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -122.52 78.7 46.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.41 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.63 2.22 . . . . 72.13 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -58.67 -21.03 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.53 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtp -80.47 -19.23 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.2 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.0 t -57.54 143.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.15 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 157.41 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 75.14 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -170.88 159.75 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.69 . . . . 73.52 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 74.15 112.296 0.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.2 139.78 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.128 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.99 123.24 49.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.904 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.29 115.41 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.52 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -150.46 128.92 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t0 59.23 37.42 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.834 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.94 22.48 72.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 55.32 112.457 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -119.11 130.49 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 75.24 110.888 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.43 134.34 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.919 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.6 mtm -126.76 146.87 50.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.841 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -91.79 136.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.01 111.193 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.13 151.59 47.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 74.34 112.48 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -129.53 155.98 44.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 74.21 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -51.48 160.71 0.93 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 74.02 110.859 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 72.25 112.263 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.07 81.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 74.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -69.78 -49.32 54.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.45 -41.11 69.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -50.51 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.933 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.14 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -80.9 -41.55 22.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.91 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.806 0.336 . . . . 75.54 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -131.68 135.42 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.202 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 tt -114.74 143.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 71.1 111.12 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -118.27 136.01 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.902 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.67 -157.26 12.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 61.14 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 pt -136.45 155.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.24 111.134 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -95.14 50.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.876 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -155.79 30.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 73.35 110.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 p -136.49 -178.54 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.849 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.84 -30.73 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.834 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.5 -42.96 75.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.53 111.088 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.867 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -51.7 66.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.95 -38.8 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.892 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.39 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.24 111.156 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -69.63 -47.63 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.831 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.51 -37.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.45 111.119 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -69.32 -50.99 41.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.68 -38.93 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 74.24 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -72.7 -48.77 36.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.913 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.53 -39.37 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.75 -16.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.843 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 40.11 10.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.701 -0.761 . . . . 63.21 112.432 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -102.2 143.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.857 0.361 . . . . 74.32 111.159 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -85.26 129.57 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.837 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -172.02 134.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.937 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 m -90.54 134.81 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 75.32 111.132 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.63 115.0 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.941 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -115.69 123.87 49.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.95 139.74 42.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.856 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.28 -38.03 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.931 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -54.58 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.891 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -54.18 -47.5 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.927 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.48 -70.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 71.35 110.826 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.63 111.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 73.2 112.487 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 112.34 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 73.22 110.841 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.67 157.38 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.906 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.14 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.98 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.112 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.35 69.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.95 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.56 -43.24 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 70.5 110.855 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -58.21 -39.55 79.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.859 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.18 -39.34 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 71.14 110.901 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -37.9 88.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.918 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.52 -25.76 66.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.942 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -93.34 -25.02 17.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.44 111.115 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -144.17 133.28 11.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 60.02 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 145.17 55.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 74.41 112.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.31 -43.13 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.93 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.92 -32.04 31.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -116.01 25.91 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.89 13.18 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.35 147.39 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.923 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.72 140.99 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.09 -55.2 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.817 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.56 25.06 10.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.12 111.085 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.9 -169.89 43.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 75.15 112.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -81.31 -43.35 19.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 74.54 111.183 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 p -55.47 -43.85 75.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.68 -34.83 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.894 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -22.99 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -60.82 -43.68 97.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.24 156.69 91.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 75.04 110.93 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 72.42 112.326 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -71.23 -36.36 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.98 -50.83 64.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.69 -42.43 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 71.3 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.95 -22.69 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 70.2 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -13.34 15.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.901 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -93.1 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.903 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.9 t -93.75 134.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 64.14 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.96 175.88 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.98 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.084 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.62 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 60.02 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.808 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.23 -49.64 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 63.42 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -63.86 -37.31 86.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.871 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.89 -41.27 87.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.921 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.17 -49.02 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.3 mmt -65.87 -32.61 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.4 110.871 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -55.38 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.24 -48.35 65.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.101 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -126.24 80.34 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.44 21.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 72.13 112.372 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -58.18 -21.97 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 60.53 110.801 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtp -80.47 -19.62 45.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.2 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -51.93 141.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -51.83 159.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.879 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.505 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -174.37 159.56 2.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 73.52 110.895 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.75 153.06 92.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 -1.803 . . . . 74.15 112.331 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 88.5 t -114.0 121.28 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.141 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.09 123.82 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.943 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -105.01 120.18 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.52 110.888 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -125.14 116.29 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.83 26.06 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.49 8.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 55.32 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 134.24 46.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 75.24 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 tp -97.9 134.38 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mmm -125.48 145.22 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.843 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.85 143.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 75.01 111.192 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.35 157.24 37.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.31 156.08 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 74.21 110.858 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -51.82 160.78 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 74.02 110.846 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.25 112.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.11 80.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.094 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.18 -49.52 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 64.11 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.97 -42.17 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.943 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.6 -50.4 37.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 54.12 110.939 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.82 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.13 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -82.69 -38.64 23.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.833 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 75.54 111.081 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.9 m -109.89 130.44 55.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 74.13 111.152 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.91 137.62 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 71.1 111.121 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -99.95 154.45 18.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.926 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.51 -166.81 33.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 61.14 112.457 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 pt -142.48 176.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.967 0.413 . . . . 72.24 111.052 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.925 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -105.64 69.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -156.91 143.18 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.872 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.39 -36.35 11.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.75 -37.42 59.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.159 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.32 -30.71 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.85 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -51.54 57.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -66.95 -37.32 84.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.854 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.44 94.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 75.24 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -68.27 -48.97 63.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.848 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -58.68 -40.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -67.29 -55.0 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.89 -43.33 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.7 -47.33 69.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.67 -44.16 73.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.904 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.92 -16.89 60.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.45 23.02 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.794 -0.717 . . . . 63.21 112.509 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.7 mt -107.5 147.76 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 74.32 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.42 116.99 27.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.881 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.7 157.95 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.891 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -89.09 105.57 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 75.32 111.142 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.13 120.35 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -125.53 116.28 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.35 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -79.6 147.65 32.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -52.03 -33.13 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.994 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.878 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -53.93 -47.7 70.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.84 -23.45 52.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.56 97.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.677 -0.773 . . . . 73.2 112.489 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.91 115.16 20.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 73.22 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.87 178.8 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 75.21 110.863 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.67 79.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.046 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.0 -51.4 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 71.42 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -52.86 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.34 111.09 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -49.0 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 72.53 110.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.78 -53.77 54.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.817 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -56.66 -39.54 73.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.69 -27.13 61.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.906 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -51.59 21.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 73.23 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -60.16 -26.94 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.94 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -89.51 -29.59 18.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -145.97 133.4 10.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.686 0.755 . . . . 60.02 111.029 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.42 45.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 74.41 112.349 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -52.18 -43.76 64.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 72.32 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.74 -30.18 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -116.87 28.73 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.953 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.1 tp -127.54 6.79 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.843 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 149.6 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.62 138.62 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.12 110.981 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -107.23 -40.23 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.77 29.6 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.12 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.68 151.75 17.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 75.15 112.52 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.0 p -53.3 -31.84 45.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 74.54 111.194 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -49.22 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.093 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.33 -34.78 78.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -74.77 -7.14 52.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 mp -87.28 152.84 53.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 75.04 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -179.17 2.69 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.673 2.249 . . . . 72.42 112.407 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.4 -37.38 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.2 -51.72 65.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.86 -40.04 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.103 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -71.79 -22.9 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.797 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -85.17 -22.43 28.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 72.44 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -95.3 23.84 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -81.46 135.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 64.14 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -133.47 -178.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.01 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.063 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.14 7.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 60.02 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -49.67 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.26 62.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 63.42 111.106 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -64.4 -49.95 69.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.799 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.6 -49.8 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.906 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.38 -53.71 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -32.77 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.923 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -56.43 12.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.904 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.8 -48.33 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.096 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.97 78.84 16.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.715 . . . . 74.41 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.36 20.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 72.13 112.358 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.0 t -58.5 -20.71 48.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 60.53 110.822 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.5 mtp -80.58 -19.23 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 74.2 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.7 t -57.45 145.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 168.71 10.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.837 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.6 ptp85 -174.83 159.44 2.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.594 0.711 . . . . 73.52 110.823 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.9 Cg_endo -69.69 152.13 91.86 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 -1.779 . . . . 74.15 112.368 -0.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.3 t -113.16 130.44 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.11 111.183 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.24 129.5 55.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.937 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -116.71 115.24 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -146.44 125.27 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.28 28.12 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.28 -44.37 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 55.32 112.539 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.2 132.09 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 75.24 110.861 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -99.93 150.61 22.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.888 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.15 139.91 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.828 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.89 141.3 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.123 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.6 168.17 18.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 74.34 112.433 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -141.76 155.95 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 74.21 110.871 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -53.14 160.66 1.53 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 74.02 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -48.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 72.25 112.325 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.85 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.95 -49.37 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.44 -42.68 74.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.57 -50.46 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.23 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.126 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.6 -40.69 20.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.901 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.941 0.4 . . . . 75.54 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 135.3 51.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.13 111.184 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.82 143.33 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.1 111.096 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -111.96 124.35 52.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.79 -168.34 17.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 61.14 112.562 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.99 176.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 72.24 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -90.56 -25.99 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.866 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -91.84 64.79 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 73.35 110.903 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.06 161.07 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.819 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.49 -41.12 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 72.04 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -51.72 -32.93 32.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 64.53 111.185 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -34.22 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.957 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -64.56 -51.62 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.911 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -52.13 66.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.869 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.93 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.084 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -58.63 -49.14 78.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 73.42 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.73 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.149 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.72 -50.64 49.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.934 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.38 -47.67 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 74.24 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -67.89 -35.58 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.86 -41.43 99.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -80.68 -17.02 52.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.12 51.7 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.548 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -105.53 143.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 74.32 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -86.17 119.43 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 75.12 110.918 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -160.73 135.12 7.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.254 -0.43 . . . . 75.43 111.022 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.6 m -92.24 135.5 33.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.119 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.89 110.33 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.41 110.929 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.58 122.76 48.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.95 136.5 33.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.83 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.47 -43.33 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.848 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -71.77 -54.81 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -54.16 -47.52 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.953 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -67.48 -27.69 67.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 71.35 110.823 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 98.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 73.2 112.509 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.76 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.22 110.837 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -121.72 176.49 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.21 110.831 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.41 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.2 -50.84 71.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.934 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -47.28 81.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 73.34 111.101 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -49.06 78.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.926 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.53 -47.55 85.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 70.5 110.884 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.2 -45.27 83.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -67.49 -33.75 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.926 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -37.44 73.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.883 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -68.26 -36.5 79.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.903 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 m -82.04 -32.75 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 72.44 111.185 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.77 133.28 19.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.697 0.76 . . . . 60.02 111.178 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 138.45 38.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.716 2.278 . . . . 74.41 112.332 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -54.37 -27.47 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.861 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -53.43 -33.65 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.16 27.58 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.4 tp -114.79 -26.04 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 72.55 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.44 148.24 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.878 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.98 143.54 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.92 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -58.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.15 -18.81 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.79 144.58 16.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.15 112.511 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.7 p -51.96 -31.93 31.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 74.54 111.139 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -38.47 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.142 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -77.96 -35.25 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.865 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -75.4 -12.54 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 74.13 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.78 -51.66 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 75.4 110.975 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.95 159.07 49.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 75.04 110.879 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.77 3.49 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 72.42 112.332 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.26 -32.38 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.909 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.25 -47.69 63.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.58 -40.12 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.114 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -63.7 -25.09 68.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.888 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -99.85 -20.92 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.823 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -92.95 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.93 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.21 130.96 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 64.14 111.143 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.74 177.15 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.71 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 74.4 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.68 -56.51 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 60.02 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -51.67 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -47.82 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 63.42 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.77 -35.75 81.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.27 -40.24 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.823 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.88 -44.23 81.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.875 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 34.3 mmt -72.38 -32.99 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.84 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.08 -58.45 4.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.835 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.3 64.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.082 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.77 74.58 79.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.541 0.686 . . . . 74.41 110.854 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -9.64 26.59 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.73 2.287 . . . . 72.13 112.245 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -61.63 -20.84 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 60.53 110.792 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.24 -19.27 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.2 t -51.42 144.2 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 75.44 111.085 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -63.1 159.84 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.942 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 2.9 ptp85 -178.11 159.53 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.52 110.847 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.9 Cg_endo -69.6 154.86 92.99 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.756 -1.768 . . . . 74.15 112.413 -0.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.78 130.25 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.147 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.19 122.36 47.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.951 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.18 127.95 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 64.52 110.896 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -138.73 108.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.908 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t0 57.74 26.26 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.944 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.89 -33.41 6.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 55.32 112.454 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -61.91 136.43 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 75.24 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.0 tp -109.75 120.39 42.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 mmt -114.18 138.97 49.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.41 144.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.1 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.54 146.26 49.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.42 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.69 156.01 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 74.21 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -51.89 160.66 1.08 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 74.02 110.95 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 72.25 112.299 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.87 80.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -49.36 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.856 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.5 -42.93 75.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.51 -50.49 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 54.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -24.22 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.23 111.084 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.66 -56.71 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.923 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 73.25 110.902 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.88 0.371 . . . . 75.54 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -112.48 125.65 54.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 74.13 111.107 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 tt -114.82 140.15 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.1 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -89.26 149.63 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.999 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.05 174.43 34.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 61.14 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.0 pt -140.35 160.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.978 0.418 . . . . 72.24 111.165 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -71.96 142.41 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.52 110.875 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.21 56.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -119.94 160.57 22.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 -50.6 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.864 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t -51.67 -32.53 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.53 111.234 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.73 -45.92 91.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -53.89 -51.51 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -60.83 -47.23 87.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 73.35 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.99 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 75.24 111.14 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -49.15 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.74 -35.3 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 74.45 111.093 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -67.18 -56.0 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.21 -47.49 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.99 -45.31 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.904 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.73 -45.64 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.94 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 20.47 13.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.21 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.43 148.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 74.32 111.104 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -116.32 115.34 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.856 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -114.92 143.42 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.953 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.6 m -82.74 117.72 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 75.32 111.108 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -77.07 116.04 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 75.41 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -119.18 104.74 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.47 136.62 32.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -51.38 -33.56 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.985 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -79.94 -40.39 28.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 74.3 110.879 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -54.08 -47.62 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.69 -24.06 20.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.76 100.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.435 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 131.06 47.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 73.22 110.86 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -138.43 162.67 33.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.888 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -31.55 24.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.114 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -65.68 -51.32 60.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 m -64.05 -47.3 80.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.135 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.884 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.96 -47.4 86.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 70.5 110.92 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -57.68 -40.52 79.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.18 -33.17 67.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -39.89 83.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.905 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -66.8 -29.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.905 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 p -87.98 -27.89 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.164 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.11 133.29 11.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.634 0.731 . . . . 60.02 111.115 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.89 145.06 55.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 74.41 112.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -53.16 -41.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.955 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.43 -31.04 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 74.32 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -116.9 24.5 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.5 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.84 -22.44 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 72.55 110.876 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.8 149.94 39.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.46 143.59 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.865 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -56.25 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.805 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.09 29.68 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.089 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.56 151.48 18.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 75.15 112.503 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.5 p -52.15 -33.52 40.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 74.54 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.84 71.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 75.01 111.222 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.63 -34.8 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.874 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -76.72 -5.24 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 74.13 110.85 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.76 -40.8 93.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.4 110.921 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -92.97 156.29 40.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 75.04 110.922 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.61 -178.42 2.28 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.734 2.289 . . . . 72.42 112.377 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.4 -36.19 71.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -51.76 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.23 -38.13 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.151 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.74 -21.68 57.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -23.19 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -94.61 21.32 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 74.32 110.893 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.73 135.68 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 64.14 111.125 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.61 179.91 5.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.873 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 74.4 111.087 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.23 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 60.02 111.081 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -51.55 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.859 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.25 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 63.42 111.073 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -59.65 -48.0 83.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.38 -53.03 62.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.943 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -32.63 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.9 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.03 -56.81 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.942 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.25 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.07 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -119.41 79.31 20.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 74.41 110.937 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -7.45 21.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.13 112.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.8 m -58.48 -20.66 47.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 60.53 110.867 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.9 mtp -80.29 -19.22 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.83 136.03 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.44 111.166 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -51.65 159.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.883 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.44 159.67 2.64 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.632 0.729 . . . . 73.52 110.833 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.69 153.82 92.9 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 74.15 112.322 -0.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 87.9 t -117.43 137.96 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.181 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 mp -113.96 127.37 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 72.44 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -111.73 139.47 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 64.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -160.01 112.97 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 t0 54.21 30.38 12.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.85 26.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 55.32 112.474 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -72.34 123.63 23.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 75.24 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tp -100.46 146.38 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttt -133.0 139.68 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.891 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.84 127.54 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.142 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 173.08 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.522 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -144.9 156.08 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.895 0.379 . . . . 74.21 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -51.97 160.59 1.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 74.02 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -48.84 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 72.25 112.389 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.55 84.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.091 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -69.57 -48.85 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.865 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.34 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.915 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.43 -50.69 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 54.12 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.05 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -82.77 -38.66 22.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.878 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.864 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.927 0.394 . . . . 75.54 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -125.67 140.13 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 74.13 111.165 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tt -115.39 137.45 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 71.1 111.131 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -97.89 145.88 26.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.951 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.85 -170.31 32.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 61.14 112.451 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 pt -130.52 174.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 72.24 111.139 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -89.59 142.29 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.862 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t30 63.36 60.01 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.35 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.64 163.05 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.16 -45.27 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.838 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -56.97 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 64.53 111.156 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 75.0 mmm -53.46 -37.56 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -56.64 -51.56 68.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -63.74 -47.34 81.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 73.35 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.26 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.07 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -64.28 -49.34 72.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.818 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.84 -36.71 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.167 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -68.53 -48.8 63.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.935 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.4 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.86 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -67.8 -34.9 77.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.72 -46.13 89.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.823 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -17.1 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.861 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.99 36.24 8.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 63.21 112.478 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mt -107.29 143.91 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.32 111.115 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.23 120.64 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.85 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -136.65 134.71 37.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.947 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -86.66 123.53 31.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 75.32 111.098 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -78.23 122.61 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.51 119.5 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.92 136.01 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.84 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -52.4 -34.33 47.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.903 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -85.77 -34.55 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -53.95 -32.43 53.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 74.4 110.891 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -118.28 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 71.35 110.773 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.58 104.66 2.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 73.2 112.484 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 115.91 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 73.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.4 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.865 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.18 85.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -56.57 -51.58 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.924 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -53.22 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.126 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -47.62 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.887 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.5 110.843 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -58.17 -41.96 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.856 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -71.19 -40.5 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 73.23 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.43 -50.65 15.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -68.04 -32.46 72.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -143.9 133.38 11.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.577 0.703 . . . . 60.02 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 148.48 64.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.645 2.23 . . . . 74.41 112.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -52.41 -42.83 64.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.961 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.04 -30.18 24.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.847 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -118.19 24.92 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.5 tp -128.55 6.53 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.905 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.34 148.62 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.31 143.32 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.89 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -114.61 -49.1 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.02 29.53 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 72.12 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.45 158.78 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 75.15 112.47 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -52.51 -38.26 59.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.54 111.069 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -46.56 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.01 111.144 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -70.84 -35.13 72.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -75.57 -6.19 49.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.866 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -38.91 86.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.91 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.18 158.82 36.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.707 . . . . 75.04 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -177.28 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 72.42 112.358 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -36.2 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.45 -51.92 60.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.845 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.84 -35.93 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 71.3 111.145 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -77.91 -22.92 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.2 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.8 t -89.21 -23.14 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.902 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -95.56 25.15 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 74.32 110.908 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.41 134.27 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 64.14 111.117 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -135.76 -176.11 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.9 -59.22 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 74.4 111.068 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 60.02 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -53.73 -51.79 62.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.17 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 63.42 111.147 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -53.33 -45.97 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.98 -49.51 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.06 -52.33 61.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.2 mmt -63.08 -33.29 75.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.901 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.17 -53.1 61.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.94 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.97 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.079 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.38 79.43 60.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 74.41 110.925 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.717 2.278 . . . . 72.13 112.361 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t -59.37 -21.29 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.9 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -19.33 46.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 74.2 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.5 142.76 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -50.78 147.6 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.871 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.497 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 21.4 mtm105 -153.35 160.66 30.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 73.52 110.86 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.3 Cg_endo -69.81 170.07 60.48 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 -1.813 . . . . 74.15 112.344 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.88 127.89 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.141 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.54 122.42 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.887 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -108.53 140.71 41.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.52 110.899 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -172.58 127.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 53.99 27.56 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 73.03 110.893 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -45.1 3.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.761 -0.733 . . . . 55.32 112.577 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -61.71 128.12 34.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 75.24 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.3 tp -97.08 152.46 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.1 mtm -131.1 146.53 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.893 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.86 135.47 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 166.05 21.79 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.452 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -144.45 156.06 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 74.21 110.82 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -51.41 160.8 0.9 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 74.02 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 72.25 112.332 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.28 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.06 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.07 -49.18 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.995 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.65 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.988 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.55 -50.53 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 54.12 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -27.5 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -82.36 -41.43 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.925 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.874 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.99 0.424 . . . . 75.54 111.092 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -119.68 130.03 54.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 74.13 111.106 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -115.11 137.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 71.1 111.17 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -114.82 149.31 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.76 -158.42 20.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 61.14 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 pt -144.8 174.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 72.24 111.096 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -102.9 26.24 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.923 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -122.91 24.82 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 73.35 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -138.68 178.16 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.09 -30.54 5.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 72.04 110.85 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -52.4 -34.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.165 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 74.7 mmm -62.71 -40.32 96.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.55 -51.5 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 72.34 110.909 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -62.12 -45.4 93.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.877 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -51.94 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.149 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -56.82 -48.99 76.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -61.66 -37.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.069 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.81 -35.62 78.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.0 -51.35 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 74.24 110.961 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -31.78 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.895 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.24 -43.24 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -62.31 -17.13 57.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.819 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.85 22.66 20.13 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 63.21 112.512 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.7 mt -107.43 146.58 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 74.32 111.173 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.91 109.56 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.875 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.01 142.72 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.926 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 m -82.96 113.38 20.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.177 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -77.17 120.47 22.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -125.13 122.6 37.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.792 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.65 132.6 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.919 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -68.72 -45.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.917 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -74.12 -48.07 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -56.07 -46.7 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.32 -74.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.828 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 163.76 10.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 73.2 112.501 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.19 113.53 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 73.22 110.909 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.3 176.81 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.863 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.79 -32.82 74.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 74.43 111.14 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.48 -48.27 81.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -47.1 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.124 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -50.43 74.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 72.53 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.06 -46.56 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 70.5 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -55.18 -43.86 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.867 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.42 -32.3 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -37.24 84.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 73.23 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.94 -38.53 79.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.94 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -78.82 -26.75 44.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.19 133.32 9.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 60.02 111.125 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 147.02 61.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 74.41 112.38 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -52.99 -38.57 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.21 -26.31 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.837 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -118.65 26.81 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 tp -132.73 13.57 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 72.55 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.25 149.43 30.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.895 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.01 140.44 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -112.27 -55.34 2.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.63 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.12 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.48 161.85 16.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 75.15 112.429 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.2 p -57.72 -31.8 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 74.54 111.168 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.01 111.08 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -75.15 -34.86 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.02 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -81.48 -4.26 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -60.39 -19.59 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.46 156.53 49.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 75.04 110.901 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 177.4 5.61 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 72.42 112.355 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.37 -35.62 79.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.76 -51.76 63.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.844 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.81 -55.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.3 111.126 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -58.12 -23.59 55.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 70.2 110.892 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -78.44 -16.63 57.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.827 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -93.2 17.3 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.23 136.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 64.14 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -137.5 -179.16 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.883 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -61.76 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.4 111.125 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.58 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 60.02 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -51.12 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.871 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.3 -49.95 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 63.42 111.126 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -62.51 -35.24 78.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.94 -40.34 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.39 -42.74 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 33.3 mmt -72.24 -34.05 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.897 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.36 -57.87 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.63 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.136 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -131.54 74.52 78.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.691 . . . . 74.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 72.13 112.316 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 p -60.1 -25.4 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 60.53 110.846 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.4 mtt -80.79 -19.32 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.2 t -51.75 136.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 75.44 111.115 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -52.02 163.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.932 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -176.93 159.58 1.5 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 73.52 110.898 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 52.8 Cg_endo -69.81 147.09 84.04 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 -1.786 . . . . 74.15 112.277 0.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.2 t -101.74 135.58 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 75.11 111.136 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.44 125.16 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -111.03 124.19 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 64.52 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -140.96 112.14 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.895 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.23 28.04 10.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.03 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -42.6 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 55.32 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -60.3 129.09 39.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 75.24 110.851 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 tp -103.87 140.23 37.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.918 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.4 mtp -132.18 156.84 45.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.854 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.33 145.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.18 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.43 175.55 7.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.53 155.84 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 74.21 110.925 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -51.73 160.72 1.01 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.492 0.663 . . . . 74.02 110.95 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.89 0.62 Allowed 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.664 2.243 . . . . 72.25 112.356 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.92 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -69.27 -48.8 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 64.11 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.21 -48.66 75.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.935 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.39 -46.72 82.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.54 84.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 72.23 111.085 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.31 90.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.947 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.85 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.916 0.389 . . . . 75.54 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -108.53 124.11 49.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.239 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.0 tt -114.7 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.1 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -109.53 157.8 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.843 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.97 -160.18 23.0 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.494 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.04 176.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 72.24 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -80.67 -56.16 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.8 73.57 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.35 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.2 149.2 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 72.32 110.856 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.38 -32.71 8.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 m -53.8 -45.02 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.53 111.097 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 81.6 mmm -51.8 -38.93 57.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.88 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.77 -51.53 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.898 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -64.84 -42.29 95.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 73.35 110.854 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.38 92.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 75.24 111.106 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -65.51 -49.38 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -57.42 -37.33 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.45 111.196 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -68.5 -55.14 12.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.41 -40.35 86.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -69.71 -45.53 68.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.956 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.87 -45.02 82.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.845 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.87 -17.03 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.57 18.77 34.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 63.21 112.493 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -107.54 148.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 74.32 111.085 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -114.5 121.5 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.849 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.56 153.29 27.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.947 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.59 108.26 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.161 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -78.45 118.98 21.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 75.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -124.48 105.18 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.891 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.75 132.34 34.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -71.39 -30.56 66.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.934 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -74.55 -59.01 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 74.3 110.902 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -54.18 -47.49 71.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.923 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.35 110.873 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.03 99.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 73.2 112.466 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 130.83 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.22 110.936 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -118.06 166.74 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.863 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.22 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 74.43 111.099 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.05 -50.75 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 71.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -49.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 73.34 111.139 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.36 -49.65 69.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.978 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.52 -47.08 86.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.5 110.85 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -55.51 -44.47 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.816 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -73.17 -27.71 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.893 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -37.85 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.943 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.74 -44.99 63.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.885 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -72.5 -33.01 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.182 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -137.94 133.35 17.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 60.02 111.144 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 74.41 112.386 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -56.41 -24.82 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.14 -32.72 74.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 74.32 110.949 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.41 28.99 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.5 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -114.82 -17.27 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 72.55 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.75 148.4 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.921 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.73 143.96 11.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.868 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -38.63 5.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.94 -22.92 18.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 72.12 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.36 146.43 15.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 75.15 112.465 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -51.58 -33.63 33.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 74.54 111.132 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 m -53.06 -37.08 61.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 75.01 111.115 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -78.32 -34.59 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 75.02 110.857 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -80.76 -3.92 52.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.815 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -59.94 -20.62 58.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.95 157.65 39.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.629 0.728 . . . . 75.04 110.917 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 179.24 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 72.42 112.385 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -71.5 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.12 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -73.53 -51.86 15.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -58.22 -55.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 71.3 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -58.23 -24.93 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -78.1 -19.7 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.911 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.16 24.1 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -88.59 135.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 64.14 111.11 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -142.94 -171.84 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.01 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.12 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 60.02 111.106 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -48.83 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.856 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -49.09 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 63.42 111.061 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -63.78 -36.83 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.51 -43.96 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.01 -48.61 75.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.2 mmt -66.88 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 tt -66.45 -48.03 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -48.17 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.061 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -125.67 76.81 70.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 74.41 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 72.13 112.357 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -66.27 -11.26 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.53 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -79.7 -19.19 49.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.2 110.906 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.51 158.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 75.44 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -69.51 166.55 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.52 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -165.48 156.67 12.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 73.52 110.849 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.81 160.74 87.66 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.736 -1.777 . . . . 74.15 112.337 0.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.1 128.96 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 75.11 111.132 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -116.89 139.06 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.928 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -119.06 143.05 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 64.52 110.927 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -172.06 124.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 62.76 36.98 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.35 17.4 66.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 55.32 112.53 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 75.24 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.98 140.77 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.3 mtm -130.34 149.26 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.41 110.898 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.94 142.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.154 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 171.82 10.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 74.34 112.504 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.78 156.03 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 74.21 110.929 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -55.02 159.26 3.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 74.02 110.981 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 72.25 112.378 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.73 80.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -72.16 -48.86 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 64.11 110.952 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -56.06 -42.9 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.881 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.57 -50.48 36.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.12 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.75 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.23 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -81.39 -56.31 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.88 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.929 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.908 0.385 . . . . 75.54 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -129.19 145.45 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.123 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -115.15 137.98 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 71.1 111.092 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -110.13 133.87 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.0 -161.75 13.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.62 -0.8 . . . . 61.14 112.465 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 pt -131.54 168.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 72.24 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -109.81 37.61 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -140.15 46.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.24 -178.43 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.32 110.877 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.16 -31.33 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 72.04 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -52.25 -42.4 63.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.53 111.073 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -38.63 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.34 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -56.8 -51.58 68.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 72.34 110.935 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.35 110.875 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -46.33 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 75.24 111.11 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -62.7 -49.28 75.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 73.42 110.847 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.42 -33.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.45 111.16 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -53.52 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.25 110.927 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.33 -35.53 79.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.939 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.65 -51.45 16.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.911 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -54.86 -45.77 74.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.64 -16.89 63.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.814 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 48.32 9.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.824 -0.703 . . . . 63.21 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.6 mt -105.83 138.57 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 74.32 111.145 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.16 105.85 12.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.851 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.37 134.84 19.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.96 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -89.24 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -90.21 124.51 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.19 124.0 35.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.79 151.41 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.819 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -57.85 -33.03 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.95 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -87.04 -53.12 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.935 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -53.99 -47.39 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 74.4 110.875 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.75 -24.84 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 71.35 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.63 97.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 73.2 112.435 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 110.07 14.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 73.22 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -107.43 176.77 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.845 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.68 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.171 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.93 -50.59 66.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 71.42 110.876 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.43 -50.8 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.159 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -44.91 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -63.5 -50.1 70.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.863 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -55.26 -39.14 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.836 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -72.98 -36.65 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.14 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -37.32 86.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -67.9 -40.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.917 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -76.71 -30.9 56.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 72.44 111.118 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.24 133.33 12.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 60.02 111.146 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 146.93 61.4 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.77 2.313 . . . . 74.41 112.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -54.8 -28.58 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.954 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.64 -32.39 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.87 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -122.31 29.01 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.93 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tp -121.34 -40.68 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 146.19 26.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.888 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 144.3 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.63 -44.57 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.832 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.68 -21.76 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.12 111.096 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.19 176.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 75.15 112.478 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 p -80.46 -35.66 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 74.54 111.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 p -53.13 -46.73 68.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.01 111.144 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -73.69 -35.01 65.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 75.02 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -63.86 -18.49 64.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -60.92 -52.58 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.65 156.21 55.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 75.04 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 179.12 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.605 2.203 . . . . 72.42 112.374 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -71.35 -31.31 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.12 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.44 -51.59 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.821 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.63 -40.72 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.3 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.42 -29.03 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.0 -18.02 19.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.869 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -92.94 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.854 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.76 131.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.14 111.118 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -120.02 178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.874 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.98 -59.84 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.4 111.066 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -57.25 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 60.02 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -49.91 67.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.853 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.44 60.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 63.42 111.082 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.2 -42.94 92.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.61 -47.59 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.885 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.91 -53.62 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.32 -32.62 74.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.819 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.39 -53.92 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.949 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 -48.22 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.105 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -122.58 79.18 47.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 74.41 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 72.13 112.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 p -58.45 -20.74 47.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 60.53 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 mtp -80.35 -19.26 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.2 110.937 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 143.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.44 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 162.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 3.0 ptt-85 -174.71 155.82 2.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 73.52 110.825 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.5 Cg_endo -69.83 154.51 93.49 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 -1.806 . . . . 74.15 112.296 0.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.2 t -114.99 126.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.086 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -112.34 119.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.889 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.94 114.28 28.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.962 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -122.04 111.21 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.82 33.34 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.03 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.25 -41.41 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 55.32 112.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -60.74 133.88 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.24 110.854 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.54 134.03 43.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.948 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.02 141.83 49.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.852 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.6 m -92.17 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.01 111.098 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.77 164.72 26.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 74.34 112.496 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -143.0 155.63 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 74.21 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -52.33 160.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 74.02 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 72.25 112.326 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.095 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -69.45 -49.8 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 64.11 110.962 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.36 -40.27 67.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.933 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.58 -50.24 39.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 54.12 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.79 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -82.44 -39.92 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.91 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.907 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.909 0.385 . . . . 75.54 111.175 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -108.95 126.06 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 74.13 111.125 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tt -114.86 137.8 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -113.13 149.67 33.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.17 -162.29 25.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 61.14 112.445 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 pt -144.47 144.17 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 72.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -74.82 -11.08 60.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.937 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.19 39.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.0 t -157.08 121.76 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 72.32 110.879 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.846 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -51.8 -42.69 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.151 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.885 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -52.77 -51.21 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -53.72 -50.46 65.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.954 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -51.99 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 75.24 111.119 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.47 -49.14 78.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.851 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.5 mt -58.46 -34.32 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.45 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -69.29 -50.1 49.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.75 -46.89 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 74.24 110.866 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.86 -36.11 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.3 -45.47 94.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -66.5 -16.98 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 25.15 14.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.535 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.2 mt -107.11 149.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.875 0.369 . . . . 74.32 111.137 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.91 110.52 21.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.842 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -115.23 152.21 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.58 108.2 15.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 75.32 111.11 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.11 118.04 19.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -123.68 116.06 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.865 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.53 132.95 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 73.34 110.868 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -71.31 -34.87 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.89 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -50.36 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -54.19 -47.46 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.905 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.85 -25.89 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.9 111.16 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 73.2 112.518 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 112.47 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 73.22 110.875 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -104.32 176.5 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.44 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.6 -48.42 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.42 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -47.91 67.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -50.72 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.858 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.09 -50.12 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 70.5 110.841 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -55.09 -44.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.874 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.65 -30.89 67.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.927 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.87 83.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.856 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -67.86 -49.42 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 p -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 72.44 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.45 133.32 11.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 60.02 111.06 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 140.74 43.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 74.41 112.359 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -55.44 -27.4 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 72.32 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.82 -26.72 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.913 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -121.93 29.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.3 tp -131.34 4.02 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.07 130.47 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.9 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.05 143.96 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.911 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -29.85 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.87 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.55 29.75 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.175 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.97 168.55 12.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.704 -0.76 . . . . 75.15 112.46 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -53.0 -31.49 41.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 74.54 111.1 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -52.79 -51.31 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 75.01 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -66.55 -34.43 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -76.54 -6.26 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.9 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -64.18 -52.74 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.45 158.91 59.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.708 . . . . 75.04 110.924 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 179.58 3.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 72.42 112.337 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.39 -27.21 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.895 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.8 -51.86 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.834 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.8 -47.93 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 71.3 111.101 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -66.4 -22.8 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -78.07 -22.81 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -94.95 22.07 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.13 130.57 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.144 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -142.04 -174.56 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.72 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.099 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.35 -58.22 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 60.02 111.136 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -45.15 71.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 73.02 110.906 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.08 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 63.42 111.089 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -61.78 -45.19 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.09 -42.64 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 75.34 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.54 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 74.11 110.912 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.7 mmt -61.41 -32.73 72.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.868 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.53 -48.46 72.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.901 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.17 -48.2 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.1 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.42 78.63 54.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 74.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -7.75 21.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 72.13 112.322 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -63.94 -15.42 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.53 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -19.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.2 110.926 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -55.35 133.78 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.093 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -56.66 158.62 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.903 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.494 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.2 ptp85 -169.97 159.38 6.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 73.52 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.66 161.22 86.33 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.743 -1.774 . . . . 74.15 112.412 -0.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 63.2 t -123.48 143.48 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.08 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mp -121.8 143.61 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -121.1 144.62 48.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -171.25 119.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.93 32.88 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.867 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.22 -45.08 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 55.32 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.84 130.45 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 75.24 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -98.17 150.85 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 75.31 110.938 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 ttm -124.79 143.31 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.903 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.09 135.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.01 111.168 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.45 171.01 11.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 74.34 112.487 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -145.56 153.71 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 74.21 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -52.65 161.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 74.02 110.955 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 -48.46 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 72.25 112.355 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.77 92.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.11 -48.83 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.56 -47.09 76.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.997 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -47.49 78.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 54.12 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.82 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 72.23 111.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -29.95 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.856 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.928 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.955 0.407 . . . . 75.54 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.5 m -115.79 134.62 54.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.059 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -114.62 137.72 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.168 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -111.52 133.75 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.89 -163.67 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 61.14 112.552 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 pt -136.46 176.59 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 72.24 111.125 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -93.58 -25.67 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.927 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -86.07 55.07 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 73.35 110.913 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -157.13 138.08 13.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.821 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -35.64 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 72.04 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -43.28 61.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.108 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mmm -51.7 -47.11 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.862 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -50.86 -51.63 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -61.09 -40.01 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.915 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.6 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.087 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.09 86.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.883 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -56.35 -38.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.11 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -69.43 -55.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.21 -42.26 81.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.23 -46.89 78.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -59.02 -38.59 79.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -71.91 -16.95 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.849 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 31.39 23.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 63.21 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mt -107.48 149.17 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.32 111.122 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.43 132.74 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.877 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -139.83 137.98 35.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.885 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.3 110.08 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 75.32 111.13 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.84 117.09 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.852 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.51 123.51 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.22 132.35 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -57.03 -40.56 76.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.969 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -50.44 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.876 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -54.58 -47.31 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.873 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.42 -51.69 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 71.35 110.86 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 117.23 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 73.2 112.499 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.71 125.65 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 73.22 110.962 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.0 177.08 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.21 110.906 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.38 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.068 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -51.31 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.913 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -58.73 -50.09 75.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.161 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -54.74 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.927 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.55 -47.68 69.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 70.5 110.884 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -56.86 -42.65 80.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.873 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -71.27 -27.55 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.951 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -59.1 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 73.23 110.924 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -55.14 -30.11 59.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.6 m -84.4 -32.54 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.44 111.149 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.85 133.27 9.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 60.02 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 139.14 39.6 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.742 2.295 . . . . 74.41 112.413 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -54.89 -26.64 37.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 72.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.88 -32.62 66.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.45 27.57 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 73.5 110.867 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 tp -115.59 -30.04 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 72.55 110.95 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.12 148.63 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 74.44 110.942 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 142.05 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.905 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -106.64 -28.51 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.84 29.62 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.062 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.34 158.4 18.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 75.15 112.446 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -60.01 -31.84 70.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 74.54 111.144 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.7 p -53.69 -48.3 69.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.17 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -68.59 -36.76 79.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.93 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -77.29 -4.6 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.92 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.73 -36.63 79.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.9 mt -99.63 156.54 35.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 75.04 110.869 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.65 1.96 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 72.42 112.352 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.4 -38.75 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 75.12 110.852 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -51.59 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.72 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.122 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -69.89 -25.41 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.0 t -77.97 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.67 26.01 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.79 132.34 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 64.14 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.99 179.83 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.81 66.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.101 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -58.34 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 60.02 111.114 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -54.01 -50.36 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.837 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.48 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 63.42 111.069 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -56.61 -44.61 81.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.12 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.14 -43.91 78.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -36.49 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.835 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.73 -58.22 9.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.901 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.12 59.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.41 111.099 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -114.31 73.74 2.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 74.41 110.928 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.59 36.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 72.13 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.7 p -66.89 -11.06 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.1 mtp -80.14 -15.3 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.871 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.99 165.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.44 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -78.6 165.08 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.847 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.506 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -174.61 154.94 1.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.643 0.735 . . . . 73.52 110.886 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.5 Cg_endo -69.76 157.02 92.5 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 -1.801 . . . . 74.15 112.39 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.81 135.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.51 124.19 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -108.22 130.33 55.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.988 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -160.48 116.39 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.49 49.87 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.808 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 60.84 21.81 59.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 55.32 112.53 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -113.14 124.57 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.24 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -100.73 126.81 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttm -121.26 140.17 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.891 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.3 142.15 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 75.01 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.47 169.55 14.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 74.34 112.5 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -141.78 155.06 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 74.21 110.889 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -53.98 160.69 2.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.514 0.673 . . . . 74.02 110.917 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.59 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.612 2.208 . . . . 72.25 112.412 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.34 82.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.15 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -70.66 -47.66 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.48 -42.43 78.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.906 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.64 -46.8 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.78 -48.25 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.038 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -47.22 71.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 72.22 110.948 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 18.5 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.894 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.896 0.379 . . . . 75.54 111.153 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.5 m -106.51 127.46 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.13 111.082 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.81 137.57 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 71.1 111.131 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.9 157.97 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.06 -161.58 25.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.441 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 pt -140.65 176.57 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 72.24 111.091 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -80.58 -54.82 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -74.56 74.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 73.35 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -157.07 157.36 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.842 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.39 -29.17 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.04 110.852 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -43.09 97.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.081 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 82.5 mmm -51.93 -36.41 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.807 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -61.48 -51.39 68.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 72.34 110.813 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -60.19 -46.88 88.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.62 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.24 111.052 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.98 -48.97 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 73.42 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.5 -37.04 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 74.45 111.092 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -66.72 -55.9 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.85 -41.55 91.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.962 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.99 -41.2 82.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.08 -45.92 92.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.74 -17.06 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.827 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.29 16.29 27.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 63.21 112.478 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.35 148.35 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 111.129 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.26 124.23 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.933 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.6 156.4 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.896 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.47 107.15 17.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 75.32 111.1 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.14 116.49 17.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.829 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.12 123.77 40.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.35 126.63 46.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -60.13 -37.4 79.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.947 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -74.29 -58.14 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -54.33 -47.44 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.894 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -68.85 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.35 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.47 98.25 1.27 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.855 -0.688 . . . . 73.2 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 126.85 31.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 73.22 110.958 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -118.3 176.19 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.89 88.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 74.43 111.044 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.98 -48.54 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 71.42 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -51.35 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.113 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.29 -51.34 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.961 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.82 -49.41 77.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.5 110.823 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -59.42 -30.59 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.52 110.899 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.29 -48.61 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.865 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -66.17 -24.42 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.892 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 m -96.16 -32.43 12.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.11 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -133.55 133.34 22.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 60.02 111.13 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.1 34.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.731 2.287 . . . . 74.41 112.386 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.47 -29.57 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -56.25 -34.24 66.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.85 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -123.06 28.82 7.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 73.5 110.889 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tt -114.25 -24.73 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.55 110.933 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -116.62 149.76 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.951 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.57 143.82 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.936 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -45.67 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.94 29.56 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 72.12 111.106 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.62 148.08 18.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 75.15 112.493 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -51.56 -31.74 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 74.54 111.199 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.198 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.12 -34.57 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -76.34 -5.32 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.59 -28.32 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.87 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.31 159.0 40.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 75.04 110.91 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 178.94 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.641 2.228 . . . . 72.42 112.43 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -71.23 -30.13 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 75.12 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.23 -46.53 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.843 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.7 t -72.37 -37.0 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 71.3 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -69.76 -25.44 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -96.2 -24.85 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.906 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -97.0 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 74.32 110.872 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.43 130.95 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 64.14 111.168 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -178.97 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.864 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.96 -56.89 11.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.33 -56.6 12.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 60.02 111.083 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -47.59 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.819 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.46 -54.36 27.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 63.42 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -57.35 -46.92 82.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.798 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.96 -44.86 91.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.15 -54.32 48.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 30.2 mmt -59.09 -32.79 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 72.4 110.876 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.83 -48.09 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.869 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.41 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 73.41 111.111 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 82.16 54.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.35 16.0 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.726 2.284 . . . . 72.13 112.33 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -63.93 -14.18 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.814 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -17.77 53.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.899 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.6 138.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.44 111.125 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -51.53 168.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 75.14 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -172.88 154.98 2.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.723 . . . . 73.52 110.889 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.1 Cg_endo -69.73 164.91 77.93 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 -1.798 . . . . 74.15 112.373 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.43 132.18 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.172 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -116.05 130.34 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -105.01 135.44 46.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 64.52 110.891 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -160.97 125.64 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.866 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t70 55.78 27.8 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.07 73.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.804 -0.713 . . . . 55.32 112.572 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -119.41 139.7 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.24 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.84 144.11 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.975 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 57.2 tpp -131.34 143.98 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.08 137.56 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.01 111.167 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.46 171.1 11.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 74.34 112.446 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -135.27 155.99 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 74.21 110.887 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -52.98 160.46 1.5 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.541 0.686 . . . . 74.02 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 72.25 112.331 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.23 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.34 -47.66 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 64.11 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.8 -42.78 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.944 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.42 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 54.12 110.879 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.02 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.043 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -81.47 -39.85 24.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 73.25 110.89 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.94 0.4 . . . . 75.54 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -108.12 127.37 53.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 74.13 111.188 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -114.71 137.48 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 71.1 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.07 139.22 47.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.94 -166.77 16.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 61.14 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 pt -130.16 176.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 72.24 111.131 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -95.88 -25.45 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.899 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.4 59.13 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.35 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -155.49 156.46 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -32.85 6.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.88 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -51.82 -29.77 20.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.152 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 mtp -55.49 -45.16 77.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.947 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -62.66 -45.55 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.905 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -47.64 81.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.084 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.79 -49.08 77.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mt -58.11 -36.41 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.45 111.061 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.9 -55.63 12.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.894 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.13 -43.25 95.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -43.27 90.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.83 -43.58 98.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.954 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -65.67 -16.94 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.795 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.82 12.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 63.21 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.33 142.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.32 111.15 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -91.38 107.93 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.825 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -117.96 130.1 56.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.95 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -85.49 114.39 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.32 111.152 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.16 117.66 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.41 110.913 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.04 123.05 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.07 140.89 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -51.73 -32.91 32.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.989 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -85.68 -46.37 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.3 110.874 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -54.11 -47.44 71.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 74.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.44 -25.22 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.883 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 97.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 73.2 112.442 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.94 110.16 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 73.22 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.48 176.37 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.914 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.43 111.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.08 -51.41 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 71.42 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.28 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 73.34 111.147 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -46.47 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -59.71 -51.9 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -56.99 -37.09 71.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.38 -31.61 64.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.868 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -52.56 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -58.15 -26.88 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.917 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 m -88.33 -30.35 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.207 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -148.59 133.24 8.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 60.02 111.149 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.16 39.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 74.41 112.356 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -52.8 -29.71 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.907 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.25 -32.52 48.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.885 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -120.64 25.69 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.5 110.845 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tp -116.99 -28.2 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.45 149.52 39.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 143.07 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 72.12 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -106.45 -56.61 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.907 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.68 25.88 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 72.12 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.39 162.42 26.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 75.15 112.433 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.8 p -64.77 -34.13 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 74.54 111.132 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -41.41 65.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.01 111.169 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.07 -35.36 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -73.65 -12.7 60.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.98 72.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mp -86.08 157.91 56.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 75.04 110.891 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 179.38 3.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.649 2.232 . . . . 72.42 112.327 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.36 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.9 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.41 -51.69 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.846 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.64 -30.61 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.072 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -74.79 -25.55 59.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -94.17 -24.99 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.881 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.13 36.57 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -101.36 130.62 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 64.14 111.177 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.33 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.21 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.126 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.74 -58.38 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 60.02 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -52.1 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.18 -50.62 58.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 63.42 111.084 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -60.79 -35.43 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.29 -44.04 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.41 -45.7 93.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.928 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.7 mmt -72.48 -32.97 66.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.894 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.11 -58.43 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.05 -46.09 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.41 111.043 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.39 75.92 2.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 74.41 110.893 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.29 23.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 72.13 112.354 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 t -63.49 -16.39 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 60.53 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -19.41 46.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.2 110.943 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.46 148.92 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.116 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -67.99 122.33 17.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.511 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 7.7 mmm180 -123.36 157.39 61.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 73.52 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.74 176.68 31.55 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.793 . . . . 74.15 112.378 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.28 134.7 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.66 121.75 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.82 123.48 50.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -171.67 141.6 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.762 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 53.76 35.86 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.877 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.0 17.11 50.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 55.32 112.45 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -119.66 125.62 49.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.344 . . . . 75.24 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.0 tp -96.7 135.81 38.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.969 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.4 tpp -126.78 145.66 50.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.87 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.93 140.29 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.091 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.4 131.57 44.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.491 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.96 156.12 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 74.21 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -51.9 159.09 1.47 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.581 0.705 . . . . 74.02 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -48.63 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.628 2.219 . . . . 72.25 112.39 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.38 78.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.114 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.87 -48.04 40.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 64.11 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.38 -43.29 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.929 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.56 -50.49 36.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 54.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.24 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.177 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.68 -38.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.956 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.856 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.899 0.381 . . . . 75.54 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -120.4 135.03 55.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.185 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.78 137.48 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.1 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -113.35 143.88 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.27 12.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 61.14 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.8 pt -129.04 176.29 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 72.24 111.14 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.44 31.42 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.928 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.43 25.92 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.865 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.04 -174.04 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.905 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.16 -31.44 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -55.06 -54.59 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 64.53 111.142 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mmm -51.93 -40.44 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -56.12 -51.52 67.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 72.34 110.89 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -61.2 -46.79 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 75.24 111.059 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.95 -48.94 78.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.945 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.36 -35.98 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.76 -55.9 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.93 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.56 -46.09 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 74.24 110.922 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.81 -49.35 75.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.925 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.22 -46.12 72.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.918 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.57 -16.98 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.04 41.74 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 63.21 112.506 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.09 152.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 74.32 111.111 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.57 96.4 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.874 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.55 130.86 56.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.863 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.56 118.79 27.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 75.32 111.138 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -77.05 111.19 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.847 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.99 114.34 22.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.817 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.05 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -51.93 -32.35 32.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.924 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.96 -47.05 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -54.18 -46.71 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 74.4 110.89 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -82.88 -51.25 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 71.35 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.6 171.26 25.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 73.2 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.23 134.0 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 73.22 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.75 162.34 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.918 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.02 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.135 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.86 -51.21 70.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -51.23 62.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 73.34 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -50.06 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.883 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.03 -52.54 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.5 110.833 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.9 -32.13 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.89 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.853 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -38.79 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 73.23 110.845 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.46 -50.57 36.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.932 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -67.66 -27.22 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -148.5 133.33 9.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 60.02 111.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.27 53.74 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.68 2.254 . . . . 74.41 112.336 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -52.6 -30.78 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.96 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.7 -31.7 48.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -119.69 26.37 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 73.5 110.966 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.66 -21.86 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 72.55 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -123.23 147.82 46.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.0 143.98 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.852 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -36.34 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.854 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.96 -23.18 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.12 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.87 150.22 9.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 75.15 112.525 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.0 p -52.64 -32.55 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 74.54 111.163 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -39.03 62.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.159 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -77.87 -35.65 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.74 -4.38 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.836 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -60.19 -23.33 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.931 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.35 155.6 53.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 75.04 110.978 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 155.78 65.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 72.42 112.363 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.4 -32.29 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.44 -51.63 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.851 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.7 -30.71 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.167 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.82 -35.62 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.2 110.869 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -66.05 -14.64 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.905 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -78.68 -15.23 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.943 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.86 134.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 64.14 111.107 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -141.41 -179.02 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.02 110.799 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.53 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 74.4 111.109 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.57 -53.55 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 60.02 111.12 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -53.85 -51.09 64.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.8 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.44 -53.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 63.42 111.131 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -54.41 -46.53 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.896 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.09 -50.02 75.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 35.1 mmt -66.53 -32.61 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.949 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.27 -48.42 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.135 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -125.32 78.73 67.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 74.41 110.839 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 72.13 112.347 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -66.64 -11.04 51.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 60.53 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -16.06 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.853 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.8 m -56.67 165.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.094 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 173.9 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.901 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.494 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 9.3 ptt85 -179.74 159.31 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 73.52 110.811 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.76 140.6 61.53 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 74.15 112.326 -0.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.9 t -95.39 126.77 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.126 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.43 122.65 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 72.44 110.938 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.51 143.14 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.832 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -150.31 110.33 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 74.21 110.867 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t0 59.45 28.01 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.869 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.04 -37.42 3.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 55.32 112.466 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -65.99 132.88 49.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 75.24 110.862 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.9 141.09 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.959 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.8 ttm -134.8 153.59 51.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.848 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 19.9 m -91.75 135.36 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.197 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 178.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -141.2 155.79 46.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.984 0.421 . . . . 74.21 110.885 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.47 159.21 1.71 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.628 0.727 . . . . 74.02 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 72.25 112.36 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 74.33 111.12 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -70.25 -48.2 57.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 64.11 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.51 -42.67 74.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.48 -46.82 63.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.35 89.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.104 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -35.96 67.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.899 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.968 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.858 0.361 . . . . 75.54 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.77 138.65 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 74.13 111.194 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.5 tt -114.71 138.54 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 71.1 111.066 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.0 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 73.41 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.55 -155.48 7.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.449 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 pt -137.18 176.47 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 72.24 111.186 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -92.14 -25.62 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.893 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -99.35 68.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.872 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 t -156.95 112.39 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -46.12 87.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 72.04 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -51.54 -44.81 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.53 111.154 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.5 mmm -52.94 -45.21 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.818 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -51.79 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.34 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -59.82 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.92 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -47.99 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 75.24 111.096 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -49.09 79.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.852 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.73 -34.67 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.45 111.136 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -41.15 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.08 -50.44 40.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.969 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.4 -35.48 79.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -69.03 -46.77 67.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 74.43 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -66.22 -16.01 63.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 71.45 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.64 41.22 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 63.21 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -102.87 139.33 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 74.32 111.159 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -81.12 130.23 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.882 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -173.29 135.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.939 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.9 m -91.5 135.12 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.144 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -83.05 110.1 17.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.829 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -116.71 123.71 47.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.927 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.06 149.16 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.87 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -77.13 -49.53 15.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -47.53 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.857 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -81.38 -26.01 35.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.49 139.29 9.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 73.2 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.19 117.57 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.333 . . . . 73.22 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 165.92 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.892 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.58 -41.51 63.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.065 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.52 -50.62 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -48.86 73.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.179 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -50.29 68.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 72.53 110.869 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.9 -43.93 97.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 70.5 110.874 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -55.13 -46.57 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.918 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.43 -31.66 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.863 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -68.58 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.879 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 m -80.18 -27.42 38.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.148 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.7 t -145.55 133.23 10.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 60.02 111.158 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.06 59.53 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.736 2.291 . . . . 74.41 112.411 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -52.33 -42.1 63.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.877 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -52.0 -30.1 23.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -117.66 26.79 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.5 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.89 13.46 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.55 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.34 147.05 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.874 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.75 141.75 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.929 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 -47.17 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.825 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.97 -19.41 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.12 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.41 152.93 6.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 75.15 112.46 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -58.83 -31.86 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 74.54 111.12 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -48.74 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.01 111.159 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -70.04 -34.71 73.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.877 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -76.93 -5.11 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.91 -39.37 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.9 158.91 39.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 75.04 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 72.42 112.337 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -71.49 -34.26 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.79 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -66.32 -51.69 54.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.851 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.67 -35.96 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 71.3 111.136 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -78.31 -24.73 46.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 70.2 110.846 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.9 t -86.65 -24.06 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.815 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.51 24.65 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.8 t -82.8 135.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 64.14 111.109 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.54 178.32 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.873 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.4 111.096 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.09 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 60.02 111.125 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -40.85 68.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.852 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 63.42 111.053 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -41.47 96.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.914 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.34 -46.7 75.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.951 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.15 -48.83 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.86 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.83 -58.09 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.33 110.955 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -25.49 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.41 111.116 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -133.26 74.04 73.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 74.41 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 72.13 112.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p -58.56 -22.4 55.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 60.53 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -19.38 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.925 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.01 139.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.114 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 159.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.89 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -173.67 154.34 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.52 110.855 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.0 Cg_endo -69.7 166.17 74.58 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 74.15 112.345 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -129.15 128.53 67.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.075 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -111.86 119.9 40.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.58 138.11 39.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.52 110.926 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -174.85 141.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.886 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.01 36.76 27.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.813 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.55 16.04 54.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 55.32 112.53 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -119.67 138.91 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 75.24 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tp -97.63 130.1 44.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.941 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 38.5 tpp -113.29 142.95 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.5 m -91.65 139.7 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.01 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.35 129.96 40.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.497 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.51 142.0 28.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 74.21 110.862 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.48 159.25 1.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 74.02 110.865 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.591 2.194 . . . . 72.25 112.343 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.78 79.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.1 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.62 -48.64 37.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.918 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.67 -43.32 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.906 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.35 -50.66 36.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.75 66.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.106 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -81.07 -44.76 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 73.25 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.369 . . . . 75.54 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.21 136.57 49.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.064 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 tt -114.81 139.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.1 111.106 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.63 120.56 41.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.74 -167.79 15.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 61.14 112.488 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.9 pt -123.75 176.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 72.24 111.172 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -96.95 -25.91 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.881 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.98 63.73 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.901 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -157.0 145.28 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.04 -40.0 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.04 110.836 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -51.65 -40.32 59.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 64.53 111.134 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -32.56 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 72.34 110.835 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.71 -51.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.953 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -60.77 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.831 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.47 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -63.14 -49.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mt -58.47 -36.51 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.45 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.17 -51.02 50.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.92 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.45 -48.7 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 74.24 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -66.78 -34.73 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.967 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.1 -45.75 92.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.919 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -76.4 -16.8 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 71.45 110.824 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 48.75 6.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 63.21 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.75 144.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 74.32 111.133 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.93 102.04 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.845 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.74 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.88 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 m -96.91 138.04 35.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 75.32 111.164 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -86.2 115.56 23.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 123.83 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.848 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.73 146.03 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -51.95 -33.92 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.904 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -86.48 -46.44 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.939 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -54.34 -29.46 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.888 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.47 -26.66 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.818 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.47 98.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 73.2 112.463 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.88 111.21 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 73.22 110.915 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.01 177.29 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.888 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.52 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.106 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.5 -51.11 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.932 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -49.2 78.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 73.34 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -45.16 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.49 -51.19 69.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.873 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -57.62 -36.31 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.916 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -73.33 -34.76 65.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.871 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -40.74 81.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.89 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -69.27 -47.96 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.906 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 m -68.32 -32.5 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.128 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -142.73 133.28 12.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 60.02 111.148 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 141.02 44.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.764 2.309 . . . . 74.41 112.355 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -55.28 -27.49 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.24 -33.66 67.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -116.76 26.0 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 tp -117.66 -30.15 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.55 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -120.2 136.99 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.888 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.407 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -51.18 144.51 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.12 110.88 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -47.81 2.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.854 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.42 26.74 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.12 111.055 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.86 152.94 17.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 75.15 112.445 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -52.05 -32.37 34.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.906 0.384 . . . . 74.54 111.084 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -51.25 62.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 75.01 111.168 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -72.44 -34.86 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -67.02 -14.62 63.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.76 -25.29 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.907 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -81.62 158.27 68.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 75.04 110.869 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 176.31 6.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 72.42 112.391 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.58 -38.21 80.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.2 -51.63 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.05 -30.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.132 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -69.92 -26.22 64.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -98.91 -22.9 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 72.44 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.65 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -92.52 131.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 64.14 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.15 -172.0 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.815 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.42 4.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.098 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.04 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 60.02 111.112 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -50.46 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.02 110.811 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -47.84 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.42 111.042 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.42 90.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.828 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.71 -48.06 78.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.05 -53.84 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.952 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.38 -32.66 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.938 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.09 16.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.064 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.01 75.05 38.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 74.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 72.13 112.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -66.81 -11.22 54.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.53 110.808 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 mtp -80.0 -15.59 56.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.2 110.896 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.4 m -60.94 148.64 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 75.44 111.145 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -52.55 169.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.905 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -177.79 158.87 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 73.52 110.903 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.71 148.24 86.21 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 -1.774 . . . . 74.15 112.329 0.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.82 129.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.11 111.164 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.18 127.45 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.89 128.52 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.52 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -142.95 112.06 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.07 27.2 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.866 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.68 -23.93 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 55.32 112.513 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -73.93 125.13 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 75.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.9 tp -99.34 128.68 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.3 ptp -126.14 147.91 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.921 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.48 145.66 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.01 111.137 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 168.35 17.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.484 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -132.71 155.6 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 74.21 110.854 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -52.83 160.67 1.38 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 74.02 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 72.25 112.323 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.49 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -49.05 51.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.893 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.84 -42.7 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.918 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.35 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 54.12 110.828 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.48 -27.4 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.123 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -82.55 -54.59 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.981 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.961 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.883 0.373 . . . . 75.54 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -118.33 130.14 55.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 74.13 111.162 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 tt -115.4 137.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 71.1 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -119.14 135.43 54.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.62 -163.37 25.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 61.14 112.568 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.81 172.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.918 0.39 . . . . 72.24 111.14 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -98.76 165.17 11.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.898 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 56.73 42.24 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.938 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 t -123.12 128.22 49.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 72.32 110.89 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.22 -51.25 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.04 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -51.84 -55.67 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.136 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mmm -51.94 -48.39 64.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.92 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -52.56 -51.42 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.927 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -57.91 -44.88 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.931 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.65 68.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.24 111.093 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -56.91 -49.07 76.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.867 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.69 -34.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.141 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -55.89 12.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.26 -41.28 83.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.927 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.95 -45.79 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 74.43 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -62.86 -17.02 60.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.823 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.91 18.04 21.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 63.21 112.434 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.45 147.8 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 74.32 111.133 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.07 120.51 42.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.89 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.32 143.99 43.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 75.43 110.928 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.91 112.73 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 75.32 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -77.37 117.81 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.835 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -119.52 123.91 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.855 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.2 129.51 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.19 -36.91 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.45 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -79.41 -48.81 13.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.844 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -47.37 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.924 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -39.57 86.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.881 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.47 96.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 73.2 112.475 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.7 131.26 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 73.22 110.897 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.31 153.44 29.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.874 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.68 -49.17 62.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.057 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.46 -50.95 64.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 71.42 110.919 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -48.1 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.34 111.112 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -54.63 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.947 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -53.06 -52.64 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 70.5 110.796 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -56.92 -34.76 68.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.836 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -73.37 -33.34 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.876 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -38.98 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.879 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -67.07 -28.53 68.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -91.72 -28.04 17.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.105 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.31 133.34 17.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 60.02 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.45 44.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 74.41 112.386 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -52.2 -41.65 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.09 -29.4 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -116.22 25.14 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.95 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.02 -24.64 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 72.55 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.53 149.39 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.972 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.97 143.77 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.12 110.886 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -115.99 -31.52 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.92 -23.27 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 151.73 26.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 75.15 112.483 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.6 p -52.74 -33.62 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 74.54 111.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.13 62.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.01 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -78.1 -34.85 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -78.33 -4.33 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -60.23 -23.16 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.93 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.66 155.69 56.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 75.04 110.943 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 156.24 63.73 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 72.42 112.341 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.49 -34.58 36.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -64.98 -51.69 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.819 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.53 -33.95 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.145 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -70.33 -27.54 64.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -15.96 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.833 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -78.95 -3.19 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.884 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.03 131.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 64.14 111.193 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.18 -178.91 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.88 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 74.4 111.136 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.26 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 60.02 111.072 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -51.95 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.816 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.14 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 63.42 111.078 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.09 -39.31 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.811 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.3 -43.92 80.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.45 -49.67 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -32.34 73.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.87 -47.13 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 74.33 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.32 -48.28 20.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.068 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -124.64 79.91 62.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 74.41 110.931 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.747 2.298 . . . . 72.13 112.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -18.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.53 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -19.43 45.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 74.2 110.869 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.68 145.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.149 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 171.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.877 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.5 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -174.71 159.53 2.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 73.52 110.893 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.83 143.31 73.64 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.729 -1.78 . . . . 74.15 112.324 0.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.72 125.78 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.141 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.83 122.77 48.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.54 130.14 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.52 110.9 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -152.07 122.69 7.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.66 27.43 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.864 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.91 -39.47 2.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 55.32 112.456 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -67.66 135.13 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 75.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -100.02 154.16 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.969 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mmm -136.95 145.09 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.837 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.82 125.55 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.21 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.41 139.2 45.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 74.34 112.46 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.9 156.04 17.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 74.21 110.854 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -51.75 160.84 0.99 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 74.02 110.862 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -48.48 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.28 . . . . 72.25 112.323 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.64 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.096 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.17 -48.9 39.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 64.11 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.09 -42.9 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.912 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.6 -50.43 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 54.12 110.853 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.35 -25.07 65.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.056 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -81.86 -56.55 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.957 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.1 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 73.25 110.908 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 75.54 111.109 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -105.07 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 74.13 111.157 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -114.84 137.67 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.1 111.096 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -108.36 153.19 23.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.78 -169.57 36.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.14 112.459 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.14 176.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 72.24 111.142 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.64 -25.91 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.34 70.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 73.35 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -156.95 141.94 17.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.901 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -89.62 -36.19 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.81 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -51.87 -44.27 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 64.53 111.09 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.1 mmm -52.26 -38.14 57.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.88 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.5 -51.48 69.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.25 -48.96 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.863 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.24 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -61.28 -48.17 82.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.88 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.13 -36.63 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 74.45 111.138 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -68.25 -55.85 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.75 -38.66 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -70.52 -49.11 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.99 -44.9 74.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.814 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -62.72 -17.03 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 27.77 12.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 63.21 112.457 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.0 mt -107.4 150.23 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 74.32 111.133 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -118.97 112.13 19.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.778 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.2 151.73 30.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 75.43 110.883 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -82.6 111.48 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.091 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -77.31 121.08 23.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.865 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.23 123.86 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.04 136.95 33.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 73.34 110.83 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -51.72 -32.26 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.915 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -88.79 -46.65 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.948 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.26 -46.14 72.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.88 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -32.03 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.922 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.51 97.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.429 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.67 132.55 42.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.333 . . . . 73.22 110.923 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -122.66 179.43 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.868 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.95 65.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.129 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -52.86 -51.31 61.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.31 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.22 -49.86 65.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.91 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.5 -39.25 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 70.5 110.859 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -61.83 -43.52 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -73.15 -34.13 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.921 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 73.23 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.855 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 -32.95 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.113 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -137.03 133.39 18.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.616 0.722 . . . . 60.02 111.153 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.48 53.93 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.661 2.241 . . . . 74.41 112.342 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.938 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.8 -27.16 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -123.15 22.95 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.5 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.73 0.33 6.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.907 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -150.51 135.24 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.66 143.98 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.12 110.948 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 -23.39 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 73.11 110.891 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.79 30.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.12 111.134 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.72 169.78 15.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 75.15 112.401 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -51.58 -31.2 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.54 111.163 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p -52.79 -38.15 60.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 75.01 111.092 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -78.22 -34.79 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 75.02 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -79.56 -3.81 48.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.895 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -59.97 -30.06 68.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.875 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.07 158.07 43.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 75.04 110.879 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -179.72 3.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 72.42 112.351 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -71.32 -48.31 51.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 75.12 110.891 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.58 -35.05 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 73.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.66 -46.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.143 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -45.15 79.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.872 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.865 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.42 26.08 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.8 129.95 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 64.14 111.085 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -178.61 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.12 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 74.4 111.125 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.2 8.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 60.02 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -54.73 -51.67 64.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.807 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.96 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 63.42 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.28 -43.26 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.98 -34.21 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.62 -38.65 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.847 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -43.65 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.905 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.14 -42.98 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.915 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -47.97 35.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 73.41 111.108 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.24 78.2 52.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 74.41 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.9 22.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 72.13 112.333 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -59.4 -20.76 57.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.53 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.2 ptp -86.23 -17.68 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.86 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.88 143.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 75.44 111.132 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -51.38 161.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 75.14 110.866 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.504 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -171.82 159.9 4.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 73.52 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.63 156.6 92.36 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 -1.793 . . . . 74.15 112.401 -0.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.0 t -116.12 136.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.11 111.136 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 mp -114.45 127.36 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -111.68 135.58 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 64.52 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -163.85 123.71 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.942 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 53.23 28.8 7.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.838 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.93 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 55.32 112.455 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -61.65 125.01 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 75.24 110.955 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -97.16 152.56 18.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 75.31 110.883 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ttp -134.14 141.06 46.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.925 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.89 136.74 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.01 111.158 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 166.88 20.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.473 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -138.83 155.82 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.21 110.874 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -52.31 160.67 1.21 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 74.02 110.895 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 72.25 112.312 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.82 80.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.045 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -71.28 -48.51 50.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 64.11 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.66 -42.65 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.911 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.34 -50.46 38.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.09 -29.19 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.083 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -82.62 -38.07 24.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.992 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 73.25 110.894 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.421 0.456 . . . . 53.12 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -178.55 2.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 72.12 112.29 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.92 99.38 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 74.2 112.479 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -70.05 -46.41 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 72.23 110.873 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.07 171.69 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 62.03 110.84 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.881 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t -96.95 135.51 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 75.54 111.093 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -111.31 130.11 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.102 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 tt -114.69 137.39 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 71.1 111.148 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.97 155.98 25.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.54 -138.97 5.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.33 176.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.365 . . . . 72.24 111.145 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -103.21 -25.84 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.873 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -91.08 61.91 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -156.95 141.23 16.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.944 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.19 -43.83 40.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -51.86 -48.07 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 64.53 111.134 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 57.4 mmm -51.91 -47.28 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 72.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -60.52 -42.42 96.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -64.36 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.35 110.862 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.96 -51.93 22.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 75.24 111.144 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.93 -40.23 88.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.86 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.17 -52.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -54.29 -53.42 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.65 -43.24 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 74.24 110.908 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.33 -41.12 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.897 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -67.43 -40.39 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.853 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -62.75 -16.99 60.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.94 19.28 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 63.21 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.44 140.24 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 74.32 111.115 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.59 116.38 28.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.867 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -117.72 127.95 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 75.43 110.954 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.7 m -84.54 114.53 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 75.32 111.19 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -76.96 115.55 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -124.24 123.76 40.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.813 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.54 146.59 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 73.34 110.847 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -51.68 -38.63 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.931 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -30.31 26.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 74.3 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.66 -47.42 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.907 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.43 -24.88 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.24 96.25 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 73.2 112.48 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 123.03 28.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 73.22 110.951 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.16 177.47 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.883 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.4 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.075 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.85 -51.42 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 71.42 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -47.73 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.137 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -50.58 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.912 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -57.72 -48.31 79.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 70.5 110.886 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -42.12 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.896 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -68.1 -51.63 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.888 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -26.64 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.936 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -82.48 -24.05 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.903 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.9 m -83.95 -33.33 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 72.44 111.169 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.24 158.04 65.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 60.02 111.132 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.14 41.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 74.41 112.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -57.45 -24.14 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.48 -30.52 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -111.96 27.39 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.82 -22.92 11.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 72.55 110.935 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.55 133.32 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.879 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 143.91 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 72.12 110.852 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -116.08 -18.21 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.19 29.84 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.89 -161.48 11.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 75.15 112.503 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -81.64 -31.58 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 74.54 111.144 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.3 p -52.87 -51.73 60.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.103 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -69.19 -36.34 77.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.02 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.4 -14.85 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.852 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -60.84 -52.63 64.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 75.4 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.25 159.1 85.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 75.04 110.942 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -176.43 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 72.42 112.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.11 -36.65 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.909 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -65.52 -51.44 59.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.26 -44.89 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.132 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -51.97 -30.15 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 70.2 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.9 t -99.14 -20.97 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.44 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.4 42.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.86 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.31 138.4 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.53 164.32 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.834 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 74.4 111.122 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.37 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 60.02 111.086 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m -53.74 -51.79 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.86 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.04 -56.25 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 63.42 111.054 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -51.59 -43.74 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.98 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.893 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.15 -36.79 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.11 110.929 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 35.3 mmt -72.36 -43.4 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.88 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -35.6 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 74.33 110.91 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.0 -48.18 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.075 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.75 77.19 51.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 74.41 110.89 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 72.13 112.369 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -63.82 -16.23 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 60.53 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.3 ptm -90.95 -14.82 30.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.87 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.7 t -51.03 144.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.44 111.125 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -50.63 153.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.869 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -171.16 155.92 4.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 73.52 110.848 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.79 169.05 65.37 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 -1.817 . . . . 74.15 112.344 0.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.0 t -127.61 133.71 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 75.11 111.166 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.3 126.92 53.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.934 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -113.93 121.39 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 64.52 110.882 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.45 112.13 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 74.21 110.87 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 59.92 31.51 20.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.53 -45.03 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 55.32 112.487 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -56.53 124.15 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 75.24 110.867 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.9 tt -99.15 143.25 29.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.938 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.3 ttp -130.32 149.67 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.932 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.87 142.54 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.108 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 147.27 49.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.492 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.5 155.97 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 74.21 110.868 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -63.32 160.69 39.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.551 0.691 . . . . 74.02 110.958 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 72.25 112.354 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.1 81.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 74.33 111.052 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.36 -49.51 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 64.11 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.87 -42.46 72.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.901 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.55 -50.51 36.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 54.12 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.69 64.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.106 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -82.67 -59.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.921 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -59.7 -26.23 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.0 148.9 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 73.12 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.948 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.508 0.504 . . . . 53.12 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 176.95 6.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.709 2.272 . . . . 72.12 112.311 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.05 110.56 1.04 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 74.2 112.479 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -57.21 -27.6 62.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 72.23 110.829 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 ttp -74.81 89.29 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 62.03 110.883 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -106.2 94.24 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.878 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -87.12 174.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 75.54 111.141 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -122.06 131.73 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.118 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -114.72 137.38 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.1 111.165 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -109.19 139.31 44.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.97 -168.49 24.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 pt -130.57 176.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.24 111.117 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -108.35 175.59 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.873 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.63 26.36 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 73.35 110.821 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -121.4 -176.87 3.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.823 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -120.89 -33.53 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.04 110.828 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -51.48 -51.3 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.109 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.0 mtp -52.22 -32.52 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.839 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -60.3 -51.79 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.881 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -65.46 -43.35 90.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 73.35 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.59 85.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.102 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.31 -49.4 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 73.42 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mt -59.67 -36.16 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.11 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.74 -51.2 43.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 74.25 110.92 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.39 -47.3 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 74.24 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.35 -34.51 76.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.92 -46.21 90.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.865 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -72.79 -16.99 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 42.46 8.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.768 . . . . 63.21 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.42 140.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 74.32 111.084 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -80.48 115.05 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.825 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -136.31 128.27 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.942 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -88.09 117.04 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 75.32 111.169 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -77.14 122.24 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.885 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.49 120.39 28.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.808 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.31 142.67 30.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -56.44 -29.78 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.891 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -92.7 -54.91 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 74.3 110.95 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -53.98 -27.63 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.904 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.14 -32.93 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.35 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.31 160.72 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 73.2 112.529 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.81 123.43 16.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 73.22 110.896 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.87 162.64 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.21 110.835 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.06 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.16 -50.0 62.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 71.42 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -50.61 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.181 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -55.15 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -53.25 -51.26 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.915 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -56.31 -37.58 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.845 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -72.4 -39.29 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.896 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -33.37 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 73.23 110.932 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -71.18 -25.72 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.904 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 m -92.12 -33.17 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.32 133.35 13.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.539 0.685 . . . . 60.02 111.193 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 144.59 53.98 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 74.41 112.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -56.36 -25.1 48.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -32.84 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -122.59 23.85 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.5 110.915 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -116.1 -17.21 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.55 110.891 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 149.46 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.927 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.34 143.59 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.913 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.53 -47.98 3.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 27.51 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.12 111.096 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.46 160.0 22.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 75.15 112.47 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -51.82 -34.29 39.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 74.54 111.1 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.183 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -76.0 -34.78 59.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.904 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -20.85 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.83 -25.41 66.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.848 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.81 157.92 48.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 75.04 110.92 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 178.82 4.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 72.42 112.369 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -71.3 -36.08 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.26 -51.72 49.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.76 -33.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 71.3 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.91 -25.7 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 t -98.29 -23.47 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 72.44 110.945 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -93.26 42.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 74.32 110.951 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.76 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.14 111.073 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -129.61 170.18 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.876 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.35 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.053 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -58.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 60.02 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -53.99 -51.66 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.861 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.06 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 63.42 111.162 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -56.94 -44.05 82.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.79 -46.83 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.27 -49.34 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.914 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -32.7 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.891 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.94 -55.6 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.864 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.02 -25.17 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.095 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.57 74.37 75.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.624 0.726 . . . . 74.41 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 2.215 . . . . 72.13 112.429 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 p -58.13 -23.68 55.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.834 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -19.22 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t -57.11 142.75 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.201 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 162.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.887 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.54 159.63 2.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 73.52 110.825 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.7 Cg_endo -69.73 153.34 92.85 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.757 -1.768 . . . . 74.15 112.264 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.1 t -115.29 141.79 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.09 122.93 49.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.8 117.85 34.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.52 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 109.8 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.875 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 54.62 28.74 10.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 73.03 110.851 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 -43.07 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 55.32 112.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -54.92 134.46 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 75.24 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.97 137.19 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.95 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.5 mtp -131.57 142.82 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.851 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -93.37 142.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.082 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 164.73 24.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 74.34 112.47 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -136.91 154.41 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 74.21 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -52.5 160.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.551 0.691 . . . . 74.02 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.692 2.262 . . . . 72.25 112.385 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.37 81.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.074 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.17 -49.0 48.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 64.11 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.26 -42.07 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.52 110.935 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.6 -50.41 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 54.12 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.7 -31.33 68.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.118 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.15 -36.28 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.017 0.436 . . . . 72.22 110.995 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -100.11 27.4 5.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.816 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -70.42 161.29 30.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.904 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.918 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.44 0.467 . . . . 53.12 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 72.12 112.321 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.02 -52.28 1.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.673 -0.775 . . . . 74.2 112.505 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -61.93 -51.2 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 72.23 110.862 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -98.13 168.89 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 62.03 110.902 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 p -138.85 154.96 48.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.841 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.18 123.18 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 75.54 111.101 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -119.44 138.91 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.139 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -114.85 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 71.1 111.13 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -106.33 133.64 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.918 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.32 21.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 61.14 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -136.34 173.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 72.24 111.146 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.64 35.95 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.942 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -142.75 45.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.894 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -155.8 166.41 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.35 -34.19 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.888 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.5 m -51.74 -36.93 49.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.165 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.06 65.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.834 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -57.21 -51.22 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -59.8 -43.01 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.859 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 75.24 111.162 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -60.07 -48.23 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.813 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.6 mt -58.31 -36.35 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.162 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -55.95 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.907 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -38.96 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.93 -44.24 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.839 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.34 -16.96 64.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 71.45 110.863 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.57 37.84 19.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 63.21 112.497 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -107.19 146.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 74.32 111.199 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.59 106.38 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.869 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.64 134.63 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.92 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.7 110.47 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 75.32 111.177 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -77.09 120.84 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.58 123.17 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.853 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.56 151.47 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.809 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -54.77 -29.41 53.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.834 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -90.93 -51.38 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.858 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -47.52 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.888 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.62 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.971 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.33 96.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 73.2 112.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.04 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 73.22 110.922 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -117.39 168.75 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.839 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.25 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.16 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.17 -50.98 67.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.848 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -51.44 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.133 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -49.74 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.96 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.18 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.899 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.78 -39.74 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -71.97 -32.1 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -37.22 74.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.909 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.86 -44.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.926 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -74.64 -26.75 60.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 72.44 111.142 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.36 133.33 9.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 60.02 111.082 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 138.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.606 2.204 . . . . 74.41 112.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 p-90 -54.05 -28.32 38.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.909 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -35.48 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.9 29.07 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.866 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 72.55 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.91 149.77 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.27 143.99 17.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.854 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 -53.33 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.03 -21.33 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.059 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.69 149.04 8.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 75.15 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.2 p -53.15 -32.98 50.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 74.54 111.106 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -37.44 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.01 111.2 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -77.93 -34.85 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -76.4 -5.55 47.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.898 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -84.35 157.22 62.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 75.04 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 178.75 4.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.686 2.258 . . . . 72.42 112.431 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.4 -35.14 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 75.12 110.889 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -67.96 -51.83 43.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.85 -30.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 71.3 111.097 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -81.97 -24.78 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 70.2 110.874 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -84.2 -24.4 30.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.842 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.51 20.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.37 129.67 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 64.14 111.159 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -128.59 -176.62 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.945 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -56.51 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 74.4 111.072 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.89 -58.34 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 60.02 111.109 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -54.27 -48.93 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.829 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.2 -46.61 62.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 63.42 111.121 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -66.21 -38.6 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.794 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.74 -48.56 74.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.04 -51.98 65.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.11 110.909 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -32.56 72.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.872 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.82 -54.27 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.95 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.93 -48.32 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.41 111.112 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -122.52 78.7 46.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.41 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.63 2.22 . . . . 72.13 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -58.67 -21.03 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.53 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtp -80.47 -19.23 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.2 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.0 t -57.54 143.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.15 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 157.41 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 75.14 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -170.88 159.75 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.69 . . . . 73.52 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 74.15 112.296 0.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.2 139.78 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.128 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.99 123.24 49.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.904 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.29 115.41 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.52 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -150.46 128.92 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t0 59.23 37.42 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.834 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.94 22.48 72.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 55.32 112.457 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -119.11 130.49 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 75.24 110.888 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.43 134.34 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.919 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.6 mtm -126.76 146.87 50.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.841 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -91.79 136.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.01 111.193 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.13 151.59 47.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 74.34 112.48 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -129.53 155.98 44.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 74.21 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -51.48 160.71 0.93 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 74.02 110.859 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 72.25 112.263 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.07 81.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 74.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -69.78 -49.32 54.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.45 -41.11 69.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -50.51 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.933 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.14 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -80.9 -41.55 22.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.41 -36.65 69.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.91 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.31 147.96 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 43.6 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.94 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 121.442 0.468 . . . . 53.12 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.54 18.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 72.12 112.347 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.57 26.92 11.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.852 -0.69 . . . . 74.2 112.526 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 p -62.69 -33.81 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 72.23 110.837 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.0 mtp -101.25 -30.26 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -77.05 66.02 2.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.899 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.12 114.38 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 75.54 111.145 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -131.68 135.42 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.202 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 tt -114.74 143.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 71.1 111.12 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -118.27 136.01 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.902 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.67 -157.26 12.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 61.14 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 pt -136.45 155.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.24 111.134 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -95.14 50.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.876 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -155.79 30.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 73.35 110.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 p -136.49 -178.54 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.849 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.84 -30.73 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.834 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.5 -42.96 75.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.53 111.088 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.867 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -51.7 66.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.95 -38.8 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.892 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.39 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.24 111.156 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -69.63 -47.63 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.831 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.51 -37.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.45 111.119 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -69.32 -50.99 41.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.68 -38.93 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 74.24 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -72.7 -48.77 36.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.913 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.53 -39.37 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.75 -16.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.843 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 40.11 10.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.701 -0.761 . . . . 63.21 112.432 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -102.2 143.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.857 0.361 . . . . 74.32 111.159 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -85.26 129.57 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.837 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -172.02 134.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.937 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 m -90.54 134.81 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 75.32 111.132 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.63 115.0 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.941 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -115.69 123.87 49.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.95 139.74 42.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.856 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.28 -38.03 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.931 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -54.58 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.891 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -54.18 -47.5 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.927 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.48 -70.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 71.35 110.826 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.63 111.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 73.2 112.487 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 112.34 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 73.22 110.841 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.67 157.38 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.906 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.14 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.98 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.112 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.35 69.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.95 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.56 -43.24 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 70.5 110.855 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -58.21 -39.55 79.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.859 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.18 -39.34 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 71.14 110.901 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -37.9 88.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.918 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.52 -25.76 66.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.942 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -93.34 -25.02 17.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.44 111.115 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -144.17 133.28 11.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 60.02 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 145.17 55.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 74.41 112.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.31 -43.13 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.93 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.92 -32.04 31.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -116.01 25.91 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.89 13.18 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 72.55 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.35 147.39 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.923 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.72 140.99 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.893 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.09 -55.2 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.817 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.56 25.06 10.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.12 111.085 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.9 -169.89 43.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 75.15 112.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -81.31 -43.35 19.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 74.54 111.183 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 p -55.47 -43.85 75.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.68 -34.83 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.894 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -22.99 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -60.82 -43.68 97.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.24 156.69 91.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 75.04 110.93 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 72.42 112.326 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -71.23 -36.36 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.98 -50.83 64.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.69 -42.43 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 71.3 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.95 -22.69 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 70.2 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -13.34 15.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.901 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -93.1 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.903 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.9 t -93.75 134.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 64.14 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.96 175.88 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.98 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.084 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.62 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 60.02 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.808 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.23 -49.64 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 63.42 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -63.86 -37.31 86.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.871 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.89 -41.27 87.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.921 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.17 -49.02 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.3 mmt -65.87 -32.61 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.4 110.871 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -55.38 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.24 -48.35 65.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.101 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -126.24 80.34 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.44 21.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 72.13 112.372 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -58.18 -21.97 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 60.53 110.801 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtp -80.47 -19.62 45.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.2 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -51.93 141.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -51.83 159.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.879 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.505 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -174.37 159.56 2.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 73.52 110.895 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.75 153.06 92.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 -1.803 . . . . 74.15 112.331 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 88.5 t -114.0 121.28 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.141 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.09 123.82 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.943 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -105.01 120.18 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.52 110.888 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -125.14 116.29 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.83 26.06 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.49 8.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 55.32 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 134.24 46.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 75.24 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 tp -97.9 134.38 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mmm -125.48 145.22 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.843 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.85 143.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 75.01 111.192 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.35 157.24 37.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.31 156.08 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 74.21 110.858 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -51.82 160.78 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 74.02 110.846 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.25 112.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.11 80.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.094 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.18 -49.52 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 64.11 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.97 -42.17 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.943 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.6 -50.4 37.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 54.12 110.939 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.82 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.13 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -82.69 -38.64 23.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -96.88 30.31 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.833 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -71.35 173.43 7.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.881 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 74.21 110.867 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 121.463 0.479 . . . . 53.12 112.54 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.14 9.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 72.12 112.29 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.96 104.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 74.2 112.503 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -63.6 -53.59 49.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 72.23 110.944 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.7 mtt -74.93 166.63 23.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 62.03 110.863 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -81.13 136.37 35.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.899 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.1 t -100.71 145.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.54 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.9 m -109.89 130.44 55.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 74.13 111.152 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.91 137.62 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 71.1 111.121 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -99.95 154.45 18.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.926 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.51 -166.81 33.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 61.14 112.457 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.3 pt -142.48 176.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.967 0.413 . . . . 72.24 111.052 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.925 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -105.64 69.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -156.91 143.18 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.872 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.39 -36.35 11.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.75 -37.42 59.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.159 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.32 -30.71 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.85 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -51.54 57.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -66.95 -37.32 84.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.854 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.44 94.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 75.24 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -68.27 -48.97 63.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.848 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -58.68 -40.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -67.29 -55.0 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.89 -43.33 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.7 -47.33 69.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.67 -44.16 73.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.904 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.92 -16.89 60.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.45 23.02 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.794 -0.717 . . . . 63.21 112.509 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.7 mt -107.5 147.76 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 74.32 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.42 116.99 27.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.881 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.7 157.95 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.891 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -89.09 105.57 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 75.32 111.142 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.13 120.35 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -125.53 116.28 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.35 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -79.6 147.65 32.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -52.03 -33.13 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.994 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.878 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -53.93 -47.7 70.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.84 -23.45 52.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.56 97.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.677 -0.773 . . . . 73.2 112.489 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.91 115.16 20.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 73.22 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.87 178.8 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 75.21 110.863 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.67 79.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.046 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.0 -51.4 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 71.42 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -52.86 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.34 111.09 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -49.0 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 72.53 110.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.78 -53.77 54.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.817 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -56.66 -39.54 73.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.69 -27.13 61.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.906 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -51.59 21.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 73.23 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -60.16 -26.94 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.94 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -89.51 -29.59 18.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -145.97 133.4 10.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.686 0.755 . . . . 60.02 111.029 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.42 45.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 74.41 112.349 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -52.18 -43.76 64.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 72.32 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.74 -30.18 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -116.87 28.73 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.953 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.1 tp -127.54 6.79 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.843 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 149.6 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.912 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.62 138.62 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.12 110.981 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -107.23 -40.23 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.77 29.6 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.12 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.68 151.75 17.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 75.15 112.52 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.0 p -53.3 -31.84 45.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 74.54 111.194 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -49.22 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.093 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.33 -34.78 78.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -74.77 -7.14 52.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 mp -87.28 152.84 53.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 75.04 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -179.17 2.69 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.673 2.249 . . . . 72.42 112.407 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.4 -37.38 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.2 -51.72 65.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.86 -40.04 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.103 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -71.79 -22.9 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.797 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -85.17 -22.43 28.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 72.44 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -95.3 23.84 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -81.46 135.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 64.14 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -133.47 -178.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.01 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.063 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.14 7.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 60.02 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -49.67 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.26 62.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 63.42 111.106 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -64.4 -49.95 69.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.799 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.6 -49.8 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.906 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.38 -53.71 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -32.77 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.923 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -56.43 12.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.904 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.8 -48.33 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.096 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.97 78.84 16.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.715 . . . . 74.41 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.36 20.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 72.13 112.358 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.0 t -58.5 -20.71 48.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 60.53 110.822 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.5 mtp -80.58 -19.23 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 74.2 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.7 t -57.45 145.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 168.71 10.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.837 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.6 ptp85 -174.83 159.44 2.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.594 0.711 . . . . 73.52 110.823 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.9 Cg_endo -69.69 152.13 91.86 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 -1.779 . . . . 74.15 112.368 -0.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.3 t -113.16 130.44 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.11 111.183 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.24 129.5 55.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.937 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -116.71 115.24 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -146.44 125.27 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.28 28.12 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.28 -44.37 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 55.32 112.539 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.2 132.09 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 75.24 110.861 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -99.93 150.61 22.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.888 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.15 139.91 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.828 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.89 141.3 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.123 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.6 168.17 18.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 74.34 112.433 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -141.76 155.95 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 74.21 110.871 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -53.14 160.66 1.53 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 74.02 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -48.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 72.25 112.325 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.85 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.95 -49.37 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.44 -42.68 74.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.57 -50.46 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.23 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.126 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.6 -40.69 20.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.38 -34.89 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.901 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.65 125.01 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.922 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.914 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.483 0.49 . . . . 53.12 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.02 58.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.284 . . . . 72.12 112.336 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.85 108.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 74.2 112.567 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.6 p -86.83 -31.87 20.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 72.23 110.824 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 mtp -75.08 -35.29 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 62.03 110.859 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -114.02 177.44 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.893 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.06 140.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 75.54 111.106 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 135.3 51.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.13 111.184 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.82 143.33 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 71.1 111.096 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -111.96 124.35 52.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.79 -168.34 17.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 61.14 112.562 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.99 176.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 72.24 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -90.56 -25.99 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.866 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -91.84 64.79 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 73.35 110.903 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.06 161.07 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.819 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.49 -41.12 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 72.04 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -51.72 -32.93 32.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 64.53 111.185 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -34.22 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.957 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -64.56 -51.62 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.911 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -52.13 66.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.869 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.93 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.084 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -58.63 -49.14 78.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 73.42 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.73 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.149 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.72 -50.64 49.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.934 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.38 -47.67 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 74.24 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -67.89 -35.58 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.86 -41.43 99.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -80.68 -17.02 52.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.12 51.7 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.548 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -105.53 143.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 74.32 111.1 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -86.17 119.43 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 75.12 110.918 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -160.73 135.12 7.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.254 -0.43 . . . . 75.43 111.022 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.6 m -92.24 135.5 33.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.119 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.89 110.33 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 75.41 110.929 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.58 122.76 48.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.95 136.5 33.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.83 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.47 -43.33 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.848 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -71.77 -54.81 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -54.16 -47.52 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.953 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -67.48 -27.69 67.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 71.35 110.823 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 98.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 73.2 112.509 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.76 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.22 110.837 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -121.72 176.49 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.21 110.831 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.41 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.2 -50.84 71.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.934 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -47.28 81.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 73.34 111.101 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -49.06 78.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.926 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.53 -47.55 85.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 70.5 110.884 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.2 -45.27 83.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -67.49 -33.75 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.926 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -37.44 73.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.883 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -68.26 -36.5 79.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.903 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 m -82.04 -32.75 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 72.44 111.185 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.77 133.28 19.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.697 0.76 . . . . 60.02 111.178 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 138.45 38.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.716 2.278 . . . . 74.41 112.332 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -54.37 -27.47 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.861 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -53.43 -33.65 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.16 27.58 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.5 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.4 tp -114.79 -26.04 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 72.55 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.44 148.24 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.878 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.98 143.54 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.92 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -58.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.15 -18.81 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.79 144.58 16.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.15 112.511 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.7 p -51.96 -31.93 31.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 74.54 111.139 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -38.47 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.142 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -77.96 -35.25 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.865 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -75.4 -12.54 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 74.13 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.78 -51.66 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 75.4 110.975 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.95 159.07 49.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 75.04 110.879 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.77 3.49 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 72.42 112.332 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.26 -32.38 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.909 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.25 -47.69 63.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.58 -40.12 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.114 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -63.7 -25.09 68.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.888 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -99.85 -20.92 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.823 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -92.95 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.93 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.21 130.96 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 64.14 111.143 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.74 177.15 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.71 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 74.4 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.68 -56.51 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 60.02 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -51.67 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -47.82 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 63.42 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.77 -35.75 81.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.27 -40.24 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.823 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.88 -44.23 81.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.875 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 34.3 mmt -72.38 -32.99 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.84 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.08 -58.45 4.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.835 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.3 64.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.082 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.77 74.58 79.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.541 0.686 . . . . 74.41 110.854 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -9.64 26.59 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.73 2.287 . . . . 72.13 112.245 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -61.63 -20.84 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 60.53 110.792 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.24 -19.27 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.2 t -51.42 144.2 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 75.44 111.085 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -63.1 159.84 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.942 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 2.9 ptp85 -178.11 159.53 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.52 110.847 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.9 Cg_endo -69.6 154.86 92.99 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.756 -1.768 . . . . 74.15 112.413 -0.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.78 130.25 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.147 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.19 122.36 47.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.951 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.18 127.95 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 64.52 110.896 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -138.73 108.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.908 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t0 57.74 26.26 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.944 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.89 -33.41 6.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 55.32 112.454 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -61.91 136.43 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 75.24 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.0 tp -109.75 120.39 42.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 mmt -114.18 138.97 49.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.41 144.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.1 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.54 146.26 49.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.42 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.69 156.01 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 74.21 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -51.89 160.66 1.08 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 74.02 110.95 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 72.25 112.299 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.87 80.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -49.36 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.856 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.5 -42.93 75.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.51 -50.49 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 54.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -24.22 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.23 111.084 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.66 -56.71 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.923 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.14 -28.87 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 73.25 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -61.55 144.31 54.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.891 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 74.21 110.923 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.448 0.471 . . . . 53.12 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.78 23.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 72.12 112.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.49 97.93 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 74.2 112.458 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 m -75.97 -43.75 43.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 72.23 110.846 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpt -86.02 123.12 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.914 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -89.89 108.54 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 75.24 110.844 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.3 t -101.1 147.65 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 75.54 111.1 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -112.48 125.65 54.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 74.13 111.107 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 tt -114.82 140.15 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.1 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -89.26 149.63 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.999 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.05 174.43 34.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 61.14 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.0 pt -140.35 160.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.978 0.418 . . . . 72.24 111.165 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -71.96 142.41 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.52 110.875 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.21 56.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -119.94 160.57 22.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 -50.6 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.864 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t -51.67 -32.53 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.53 111.234 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.73 -45.92 91.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -53.89 -51.51 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -60.83 -47.23 87.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 73.35 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.99 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 75.24 111.14 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -49.15 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.74 -35.3 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 74.45 111.093 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -67.18 -56.0 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.21 -47.49 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.99 -45.31 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.904 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.73 -45.64 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.94 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 20.47 13.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.21 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.43 148.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 74.32 111.104 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -116.32 115.34 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.856 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -114.92 143.42 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.953 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.6 m -82.74 117.72 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 75.32 111.108 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -77.07 116.04 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 75.41 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -119.18 104.74 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.47 136.62 32.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -51.38 -33.56 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.985 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -79.94 -40.39 28.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 74.3 110.879 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -54.08 -47.62 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.69 -24.06 20.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.76 100.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.435 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 131.06 47.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 73.22 110.86 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -138.43 162.67 33.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.888 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.55 -31.55 24.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.114 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -65.68 -51.32 60.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 m -64.05 -47.3 80.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.135 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.884 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.96 -47.4 86.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 70.5 110.92 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -57.68 -40.52 79.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.18 -33.17 67.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.02 -39.89 83.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.905 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -66.8 -29.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.905 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 p -87.98 -27.89 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.164 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.11 133.29 11.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.634 0.731 . . . . 60.02 111.115 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.89 145.06 55.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 74.41 112.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -53.16 -41.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.955 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.43 -31.04 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 74.32 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -116.9 24.5 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.5 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.84 -22.44 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 72.55 110.876 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.8 149.94 39.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.46 143.59 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.865 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -56.25 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.805 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.09 29.68 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.089 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.56 151.48 18.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 75.15 112.503 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.5 p -52.15 -33.52 40.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 74.54 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.84 71.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 75.01 111.222 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.63 -34.8 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.874 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -76.72 -5.24 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 74.13 110.85 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.76 -40.8 93.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.4 110.921 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -92.97 156.29 40.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 75.04 110.922 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.61 -178.42 2.28 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.734 2.289 . . . . 72.42 112.377 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.4 -36.19 71.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -51.76 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.23 -38.13 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.151 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.74 -21.68 57.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -23.19 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -94.61 21.32 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 74.32 110.893 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.73 135.68 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 64.14 111.125 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.61 179.91 5.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.873 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 74.4 111.087 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.23 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 60.02 111.081 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -51.55 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.859 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.25 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 63.42 111.073 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -59.65 -48.0 83.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.38 -53.03 62.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.943 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -32.63 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.9 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.03 -56.81 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.942 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.25 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.07 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -119.41 79.31 20.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 74.41 110.937 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -7.45 21.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 72.13 112.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.8 m -58.48 -20.66 47.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 60.53 110.867 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.9 mtp -80.29 -19.22 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.83 136.03 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.44 111.166 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -51.65 159.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.883 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.501 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.44 159.67 2.64 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.632 0.729 . . . . 73.52 110.833 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.69 153.82 92.9 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 74.15 112.322 -0.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 87.9 t -117.43 137.96 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.181 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 mp -113.96 127.37 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 72.44 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -111.73 139.47 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 64.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -160.01 112.97 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 t0 54.21 30.38 12.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.85 26.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 55.32 112.474 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -72.34 123.63 23.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 75.24 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tp -100.46 146.38 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttt -133.0 139.68 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.891 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.84 127.54 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.142 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 173.08 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.522 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -144.9 156.08 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.895 0.379 . . . . 74.21 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -51.97 160.59 1.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 74.02 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -48.84 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 72.25 112.389 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.55 84.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.091 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -69.57 -48.85 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.865 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.34 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.915 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.43 -50.69 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 54.12 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.05 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -82.77 -38.66 22.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.878 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.0 -29.18 59.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -80.75 129.34 34.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.91 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.916 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 121.486 0.492 . . . . 53.12 112.58 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 128.9 16.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.24 . . . . 72.12 112.351 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.24 162.91 22.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 74.2 112.491 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -75.97 -41.88 50.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 72.23 110.819 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.0 ttm -116.47 146.14 42.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -105.46 148.51 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 75.24 110.829 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -130.54 137.71 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 75.54 111.126 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -125.67 140.13 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 74.13 111.165 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tt -115.39 137.45 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 71.1 111.131 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -97.89 145.88 26.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.951 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.85 -170.31 32.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 61.14 112.451 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 pt -130.52 174.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 72.24 111.139 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -89.59 142.29 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.862 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t30 63.36 60.01 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.35 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.64 163.05 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.16 -45.27 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.838 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -56.97 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 64.53 111.156 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 75.0 mmm -53.46 -37.56 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -56.64 -51.56 68.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -63.74 -47.34 81.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 73.35 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.26 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.24 111.07 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -64.28 -49.34 72.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.818 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.84 -36.71 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.167 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -68.53 -48.8 63.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.935 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.4 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.86 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -67.8 -34.9 77.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.72 -46.13 89.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.823 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -17.1 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.861 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.99 36.24 8.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 63.21 112.478 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mt -107.29 143.91 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.32 111.115 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.23 120.64 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.85 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -136.65 134.71 37.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.947 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -86.66 123.53 31.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 75.32 111.098 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -78.23 122.61 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.51 119.5 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.92 136.01 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.84 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -52.4 -34.33 47.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.903 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -85.77 -34.55 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -53.95 -32.43 53.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 74.4 110.891 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -118.28 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 71.35 110.773 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.58 104.66 2.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 73.2 112.484 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 115.91 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 73.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.4 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.865 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.18 85.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -56.57 -51.58 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.924 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -53.22 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.126 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -47.62 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.887 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.5 110.843 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -58.17 -41.96 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.856 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -71.19 -40.5 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 73.23 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.43 -50.65 15.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -68.04 -32.46 72.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -143.9 133.38 11.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.577 0.703 . . . . 60.02 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 148.48 64.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.645 2.23 . . . . 74.41 112.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -52.41 -42.83 64.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.961 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.04 -30.18 24.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.847 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -118.19 24.92 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.5 tp -128.55 6.53 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.905 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.34 148.62 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.31 143.32 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.89 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -114.61 -49.1 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.02 29.53 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 72.12 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.45 158.78 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 75.15 112.47 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -52.51 -38.26 59.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.54 111.069 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -46.56 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.01 111.144 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -70.84 -35.13 72.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -75.57 -6.19 49.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.866 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -38.91 86.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.91 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.18 158.82 36.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.707 . . . . 75.04 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -177.28 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 72.42 112.358 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -36.2 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.45 -51.92 60.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.845 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.84 -35.93 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 71.3 111.145 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -77.91 -22.92 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.2 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.8 t -89.21 -23.14 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.902 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -95.56 25.15 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 74.32 110.908 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.41 134.27 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 64.14 111.117 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -135.76 -176.11 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.9 -59.22 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 74.4 111.068 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 60.02 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -53.73 -51.79 62.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.17 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 63.42 111.147 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -53.33 -45.97 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.98 -49.51 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.06 -52.33 61.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.955 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.2 mmt -63.08 -33.29 75.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.901 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.17 -53.1 61.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.94 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.97 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.079 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.38 79.43 60.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 74.41 110.925 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.717 2.278 . . . . 72.13 112.361 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t -59.37 -21.29 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.9 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -19.33 46.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 74.2 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.5 142.76 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -50.78 147.6 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.871 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.497 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 21.4 mtm105 -153.35 160.66 30.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 73.52 110.86 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.3 Cg_endo -69.81 170.07 60.48 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 -1.813 . . . . 74.15 112.344 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.88 127.89 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.141 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.54 122.42 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.887 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -108.53 140.71 41.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.52 110.899 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -172.58 127.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 53.99 27.56 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 73.03 110.893 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -45.1 3.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.761 -0.733 . . . . 55.32 112.577 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -61.71 128.12 34.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 75.24 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.3 tp -97.08 152.46 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.1 mtm -131.1 146.53 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.893 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.86 135.47 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 166.05 21.79 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.452 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -144.45 156.06 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 74.21 110.82 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -51.41 160.8 0.9 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 74.02 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 72.25 112.332 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.28 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.06 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.07 -49.18 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.995 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.65 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.988 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.55 -50.53 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 54.12 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -27.5 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -82.36 -41.43 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.925 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.87 -32.65 63.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.874 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -68.66 150.48 47.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.878 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.903 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 121.401 0.445 . . . . 53.12 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.76 12.53 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.681 2.254 . . . . 72.12 112.388 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.16 49.19 0.89 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.684 -0.769 . . . . 74.2 112.427 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -63.48 -53.0 58.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 72.23 110.887 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.84 97.44 10.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 62.03 110.921 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -113.84 131.1 56.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.887 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.4 t -104.89 148.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 75.54 111.092 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 m -119.68 130.03 54.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 74.13 111.106 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -115.11 137.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 71.1 111.17 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -114.82 149.31 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.76 -158.42 20.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 61.14 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 pt -144.8 174.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 72.24 111.096 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -102.9 26.24 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.923 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -122.91 24.82 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 73.35 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -138.68 178.16 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.09 -30.54 5.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 72.04 110.85 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -52.4 -34.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.165 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 74.7 mmm -62.71 -40.32 96.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.55 -51.5 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 72.34 110.909 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -62.12 -45.4 93.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.877 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -51.94 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.149 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -56.82 -48.99 76.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -61.66 -37.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.069 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.81 -35.62 78.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.0 -51.35 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 74.24 110.961 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -31.78 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.895 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.24 -43.24 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -62.31 -17.13 57.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.819 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.85 22.66 20.13 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 63.21 112.512 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.7 mt -107.43 146.58 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 74.32 111.173 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.91 109.56 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.875 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.01 142.72 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.926 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 m -82.96 113.38 20.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.177 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -77.17 120.47 22.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -125.13 122.6 37.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.792 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.65 132.6 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.919 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -68.72 -45.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.917 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -74.12 -48.07 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -56.07 -46.7 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.32 -74.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.828 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 163.76 10.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 73.2 112.501 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.19 113.53 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 73.22 110.909 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.3 176.81 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.863 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.79 -32.82 74.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 74.43 111.14 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.48 -48.27 81.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -47.1 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.124 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -50.43 74.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 72.53 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.06 -46.56 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 70.5 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -55.18 -43.86 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.867 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.42 -32.3 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -37.24 84.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 73.23 110.929 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.94 -38.53 79.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.94 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -78.82 -26.75 44.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.19 133.32 9.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 60.02 111.125 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 147.02 61.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 74.41 112.38 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -52.99 -38.57 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.21 -26.31 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.837 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -118.65 26.81 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.5 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 tp -132.73 13.57 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 72.55 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.25 149.43 30.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.895 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.01 140.44 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -112.27 -55.34 2.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.63 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.12 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.48 161.85 16.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 75.15 112.429 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.2 p -57.72 -31.8 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 74.54 111.168 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.01 111.08 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -75.15 -34.86 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.02 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -81.48 -4.26 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -60.39 -19.59 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.46 156.53 49.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 75.04 110.901 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 177.4 5.61 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 72.42 112.355 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.37 -35.62 79.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.76 -51.76 63.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.844 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.81 -55.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.3 111.126 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -58.12 -23.59 55.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 70.2 110.892 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -78.44 -16.63 57.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.827 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -93.2 17.3 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.23 136.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 64.14 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -137.5 -179.16 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.883 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -61.76 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.4 111.125 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.58 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 60.02 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -51.12 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.871 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.3 -49.95 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 63.42 111.126 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -62.51 -35.24 78.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.94 -40.34 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.39 -42.74 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 33.3 mmt -72.24 -34.05 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.897 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.36 -57.87 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.63 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.136 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -131.54 74.52 78.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.691 . . . . 74.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 72.13 112.316 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 p -60.1 -25.4 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 60.53 110.846 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.4 mtt -80.79 -19.32 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.2 t -51.75 136.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 75.44 111.115 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -52.02 163.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.932 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -176.93 159.58 1.5 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 73.52 110.898 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 52.8 Cg_endo -69.81 147.09 84.04 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 -1.786 . . . . 74.15 112.277 0.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.2 t -101.74 135.58 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 75.11 111.136 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.44 125.16 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -111.03 124.19 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 64.52 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -140.96 112.14 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.895 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.23 28.04 10.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.03 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -42.6 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 55.32 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -60.3 129.09 39.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 75.24 110.851 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 tp -103.87 140.23 37.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.918 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.4 mtp -132.18 156.84 45.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.854 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.33 145.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.18 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.43 175.55 7.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.53 155.84 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 74.21 110.925 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -51.73 160.72 1.01 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.492 0.663 . . . . 74.02 110.95 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.89 0.62 Allowed 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.664 2.243 . . . . 72.25 112.356 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.92 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -69.27 -48.8 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 64.11 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.21 -48.66 75.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.935 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.39 -46.72 82.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.54 84.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 72.23 111.085 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.31 90.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.947 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.61 25.09 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.85 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -89.08 134.47 33.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.958 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 121.516 0.509 . . . . 53.12 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.44 48.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.794 2.329 . . . . 72.12 112.305 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.11 72.74 0.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 74.2 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 t -57.73 -51.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 72.23 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.78 174.89 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 62.03 110.903 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -134.68 144.63 47.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.843 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.9 t -91.12 145.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 75.54 111.156 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -108.53 124.11 49.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.239 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.0 tt -114.7 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.1 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -109.53 157.8 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.843 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.97 -160.18 23.0 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.494 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.04 176.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 72.24 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -80.67 -56.16 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.8 73.57 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.35 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.2 149.2 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 72.32 110.856 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.38 -32.71 8.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 m -53.8 -45.02 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.53 111.097 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 81.6 mmm -51.8 -38.93 57.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.88 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.77 -51.53 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.898 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -64.84 -42.29 95.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 73.35 110.854 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.38 92.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 75.24 111.106 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -65.51 -49.38 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -57.42 -37.33 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.45 111.196 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -68.5 -55.14 12.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.41 -40.35 86.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -69.71 -45.53 68.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.956 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.87 -45.02 82.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.845 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.87 -17.03 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.57 18.77 34.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 63.21 112.493 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -107.54 148.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 74.32 111.085 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -114.5 121.5 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.849 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.56 153.29 27.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.947 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.59 108.26 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.161 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -78.45 118.98 21.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 75.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -124.48 105.18 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.891 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.75 132.34 34.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -71.39 -30.56 66.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.934 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -74.55 -59.01 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 74.3 110.902 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -54.18 -47.49 71.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.923 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.35 110.873 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.03 99.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 73.2 112.466 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 130.83 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 73.22 110.936 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -118.06 166.74 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.863 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.22 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 74.43 111.099 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.05 -50.75 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 71.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -49.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 73.34 111.139 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.36 -49.65 69.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.978 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.52 -47.08 86.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.5 110.85 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -55.51 -44.47 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.816 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -73.17 -27.71 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.893 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -37.85 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.943 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.74 -44.99 63.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.885 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -72.5 -33.01 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.182 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -137.94 133.35 17.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 60.02 111.144 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 74.41 112.386 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -56.41 -24.82 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.14 -32.72 74.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 74.32 110.949 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.41 28.99 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.5 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.6 tp -114.82 -17.27 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 72.55 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.75 148.4 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.921 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.73 143.96 11.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.868 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -38.63 5.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.94 -22.92 18.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 72.12 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.36 146.43 15.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 75.15 112.465 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -51.58 -33.63 33.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 74.54 111.132 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 m -53.06 -37.08 61.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 75.01 111.115 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -78.32 -34.59 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 75.02 110.857 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -80.76 -3.92 52.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.815 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -59.94 -20.62 58.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.95 157.65 39.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.629 0.728 . . . . 75.04 110.917 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 179.24 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 72.42 112.385 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -71.5 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 75.12 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -73.53 -51.86 15.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -58.22 -55.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 71.3 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -58.23 -24.93 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -78.1 -19.7 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.911 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.16 24.1 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -88.59 135.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 64.14 111.11 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -142.94 -171.84 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.01 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.12 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 60.02 111.106 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -48.83 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.856 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -49.09 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 63.42 111.061 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -63.78 -36.83 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.51 -43.96 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.01 -48.61 75.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.2 mmt -66.88 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.0 tt -66.45 -48.03 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -48.17 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.061 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -125.67 76.81 70.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 74.41 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 72.13 112.357 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -66.27 -11.26 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.53 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -79.7 -19.19 49.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.2 110.906 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.51 158.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 75.44 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -69.51 166.55 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.52 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -165.48 156.67 12.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 73.52 110.849 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.81 160.74 87.66 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.736 -1.777 . . . . 74.15 112.337 0.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.1 128.96 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 75.11 111.132 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -116.89 139.06 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.928 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -119.06 143.05 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 64.52 110.927 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -172.06 124.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 62.76 36.98 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.35 17.4 66.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 55.32 112.53 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 75.24 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.98 140.77 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.894 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.3 mtm -130.34 149.26 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.41 110.898 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.94 142.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.154 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 171.82 10.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 74.34 112.504 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.78 156.03 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 74.21 110.929 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -55.02 159.26 3.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 74.02 110.981 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 72.25 112.378 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.73 80.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -72.16 -48.86 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 64.11 110.952 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -56.06 -42.9 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.881 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.57 -50.48 36.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.12 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.75 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.23 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -81.39 -56.31 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.88 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.929 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -84.83 130.7 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 73.12 110.849 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.937 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 121.518 0.51 . . . . 53.12 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -171.52 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 72.12 112.303 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.51 91.06 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 74.2 112.461 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 m -86.25 -34.97 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 72.23 110.878 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.13 168.61 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 62.03 110.865 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.3 p -140.18 150.43 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.848 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -90.9 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 75.54 111.103 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -129.19 145.45 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.123 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -115.15 137.98 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 71.1 111.092 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -110.13 133.87 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.0 -161.75 13.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.62 -0.8 . . . . 61.14 112.465 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 pt -131.54 168.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 72.24 111.133 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -109.81 37.61 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -140.15 46.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.24 -178.43 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.32 110.877 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.16 -31.33 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 72.04 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -52.25 -42.4 63.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.53 111.073 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -38.63 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.34 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -56.8 -51.58 68.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 72.34 110.935 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.35 110.875 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -46.33 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 75.24 111.11 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -62.7 -49.28 75.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 73.42 110.847 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.42 -33.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.45 111.16 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -53.52 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.25 110.927 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.33 -35.53 79.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.939 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.65 -51.45 16.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.911 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -54.86 -45.77 74.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.64 -16.89 63.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.814 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 48.32 9.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.824 -0.703 . . . . 63.21 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.6 mt -105.83 138.57 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 74.32 111.145 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.16 105.85 12.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.851 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.37 134.84 19.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.96 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -89.24 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -90.21 124.51 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.19 124.0 35.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.79 151.41 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.819 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -57.85 -33.03 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.95 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -87.04 -53.12 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.935 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -53.99 -47.39 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 74.4 110.875 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.75 -24.84 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 71.35 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.63 97.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 73.2 112.435 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 110.07 14.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 73.22 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -107.43 176.77 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.845 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.68 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.171 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.93 -50.59 66.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 71.42 110.876 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.43 -50.8 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.159 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -44.91 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -63.5 -50.1 70.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.863 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -55.26 -39.14 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.836 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -72.98 -36.65 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.14 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -37.32 86.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -67.9 -40.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.917 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -76.71 -30.9 56.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 72.44 111.118 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.24 133.33 12.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 60.02 111.146 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 146.93 61.4 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.77 2.313 . . . . 74.41 112.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -54.8 -28.58 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.954 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.64 -32.39 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.87 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -122.31 29.01 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.93 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tp -121.34 -40.68 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 146.19 26.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.888 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 144.3 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.63 -44.57 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.832 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.68 -21.76 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.12 111.096 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.19 176.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 75.15 112.478 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 p -80.46 -35.66 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 74.54 111.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 p -53.13 -46.73 68.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.01 111.144 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -73.69 -35.01 65.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 75.02 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -63.86 -18.49 64.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -60.92 -52.58 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.65 156.21 55.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 75.04 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 179.12 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.605 2.203 . . . . 72.42 112.374 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -71.35 -31.31 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 75.12 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.44 -51.59 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.821 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.63 -40.72 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.3 111.154 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.42 -29.03 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.0 -18.02 19.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.869 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -92.94 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.854 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.76 131.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.14 111.118 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -120.02 178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.874 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.98 -59.84 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.4 111.066 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -57.25 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 60.02 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -49.91 67.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.853 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.44 60.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 63.42 111.082 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.2 -42.94 92.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.61 -47.59 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.885 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.91 -53.62 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.32 -32.62 74.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.819 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.39 -53.92 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.949 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 -48.22 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.105 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -122.58 79.18 47.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 74.41 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 72.13 112.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 p -58.45 -20.74 47.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 60.53 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 mtp -80.35 -19.26 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.2 110.937 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 143.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.44 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 162.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 3.0 ptt-85 -174.71 155.82 2.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 73.52 110.825 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.5 Cg_endo -69.83 154.51 93.49 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 -1.806 . . . . 74.15 112.296 0.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.2 t -114.99 126.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.086 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -112.34 119.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.889 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.94 114.28 28.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.962 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -122.04 111.21 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.82 33.34 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.03 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.25 -41.41 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 55.32 112.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -60.74 133.88 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 75.24 110.854 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.54 134.03 43.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.948 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.02 141.83 49.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.852 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.6 m -92.17 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.01 111.098 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.77 164.72 26.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 74.34 112.496 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -143.0 155.63 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 74.21 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -52.33 160.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 74.02 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 72.25 112.326 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.095 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -69.45 -49.8 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 64.11 110.962 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.36 -40.27 67.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.933 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.58 -50.24 39.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 54.12 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.79 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -82.44 -39.92 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.91 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.11 -31.27 63.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -77.45 128.25 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.964 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.412 0.451 . . . . 53.12 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.26 62.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 72.12 112.319 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.21 88.08 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.811 -0.709 . . . . 74.2 112.467 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.5 m -69.38 -39.96 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.896 0.379 . . . . 72.23 110.893 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.71 160.94 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 62.03 110.866 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -84.78 141.22 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.83 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.87 145.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.54 111.175 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -108.95 126.06 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 74.13 111.125 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tt -114.86 137.8 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -113.13 149.67 33.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.17 -162.29 25.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 61.14 112.445 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 pt -144.47 144.17 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 72.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -74.82 -11.08 60.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.937 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.19 39.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.0 t -157.08 121.76 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 72.32 110.879 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.04 110.846 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -51.8 -42.69 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.151 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.885 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -52.77 -51.21 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -53.72 -50.46 65.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.954 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -51.99 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 75.24 111.119 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.47 -49.14 78.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.851 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.5 mt -58.46 -34.32 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.45 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -69.29 -50.1 49.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.75 -46.89 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 74.24 110.866 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.86 -36.11 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.3 -45.47 94.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -66.5 -16.98 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 25.15 14.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.535 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.2 mt -107.11 149.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.875 0.369 . . . . 74.32 111.137 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.91 110.52 21.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.842 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -115.23 152.21 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.58 108.2 15.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 75.32 111.11 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.11 118.04 19.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -123.68 116.06 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.865 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.53 132.95 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 73.34 110.868 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -71.31 -34.87 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.89 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -50.36 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -54.19 -47.46 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.905 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.85 -25.89 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.9 111.16 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 73.2 112.518 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 112.47 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 73.22 110.875 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -104.32 176.5 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.44 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.6 -48.42 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.42 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -47.91 67.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -50.72 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.858 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.09 -50.12 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 70.5 110.841 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -55.09 -44.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.874 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.65 -30.89 67.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.927 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.87 83.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.856 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -67.86 -49.42 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 p -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 72.44 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.45 133.32 11.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 60.02 111.06 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 140.74 43.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 74.41 112.359 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -55.44 -27.4 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 72.32 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.82 -26.72 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.913 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -121.93 29.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.3 tp -131.34 4.02 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.07 130.47 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.9 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.05 143.96 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.911 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -29.85 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.87 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.55 29.75 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.175 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.97 168.55 12.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.704 -0.76 . . . . 75.15 112.46 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -53.0 -31.49 41.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 74.54 111.1 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -52.79 -51.31 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 75.01 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -66.55 -34.43 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -76.54 -6.26 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.9 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -64.18 -52.74 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.45 158.91 59.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.708 . . . . 75.04 110.924 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 179.58 3.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 72.42 112.337 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.39 -27.21 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.895 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.8 -51.86 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.834 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.8 -47.93 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 71.3 111.101 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -66.4 -22.8 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -78.07 -22.81 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -94.95 22.07 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.13 130.57 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.144 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -142.04 -174.56 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.72 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.099 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.35 -58.22 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 60.02 111.136 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -45.15 71.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 73.02 110.906 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.08 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 63.42 111.089 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -61.78 -45.19 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.09 -42.64 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 75.34 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.54 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 74.11 110.912 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.7 mmt -61.41 -32.73 72.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.868 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.53 -48.46 72.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.901 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.17 -48.2 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.1 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.42 78.63 54.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 74.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -7.75 21.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 72.13 112.322 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -63.94 -15.42 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.53 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -19.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.2 110.926 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -55.35 133.78 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.44 111.093 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -56.66 158.62 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.903 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.494 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.2 ptp85 -169.97 159.38 6.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 73.52 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.66 161.22 86.33 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.743 -1.774 . . . . 74.15 112.412 -0.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 63.2 t -123.48 143.48 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.08 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mp -121.8 143.61 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -121.1 144.62 48.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -171.25 119.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.93 32.88 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.867 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.22 -45.08 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 55.32 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.84 130.45 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 75.24 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -98.17 150.85 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 75.31 110.938 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 ttm -124.79 143.31 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.903 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.09 135.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.01 111.168 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.45 171.01 11.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 74.34 112.487 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -145.56 153.71 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 74.21 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -52.65 161.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 74.02 110.955 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 -48.46 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 72.25 112.355 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.77 92.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.11 -48.83 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.56 -47.09 76.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.997 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -47.49 78.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 54.12 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.82 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 72.23 111.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -29.95 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.856 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.75 -26.12 44.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.08 131.29 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.855 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.0 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.401 0.445 . . . . 53.12 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 112.71 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.745 2.297 . . . . 72.12 112.343 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.95 59.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 74.2 112.464 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -66.19 -27.67 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 72.23 110.845 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.0 ttp -95.63 104.21 16.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 62.03 110.88 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.53 155.37 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.791 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -127.02 132.89 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 75.54 111.088 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.5 m -115.79 134.62 54.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.059 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -114.62 137.72 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.168 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -111.52 133.75 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.89 -163.67 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 61.14 112.552 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 pt -136.46 176.59 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 72.24 111.125 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -93.58 -25.67 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.927 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -86.07 55.07 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 73.35 110.913 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -157.13 138.08 13.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.821 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -35.64 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 72.04 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -43.28 61.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.108 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mmm -51.7 -47.11 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.862 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -50.86 -51.63 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -61.09 -40.01 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.915 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.6 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.087 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.09 86.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.883 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -56.35 -38.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.11 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -69.43 -55.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.21 -42.26 81.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.23 -46.89 78.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -59.02 -38.59 79.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -71.91 -16.95 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.849 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 31.39 23.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 63.21 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mt -107.48 149.17 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.32 111.122 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.43 132.74 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.877 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -139.83 137.98 35.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.885 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.3 110.08 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 75.32 111.13 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.84 117.09 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.852 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.51 123.51 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.22 132.35 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -57.03 -40.56 76.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.969 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -50.44 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.876 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -54.58 -47.31 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.873 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.42 -51.69 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 71.35 110.86 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 117.23 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 73.2 112.499 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.71 125.65 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 73.22 110.962 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.0 177.08 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.21 110.906 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.38 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.068 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -51.31 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.913 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -58.73 -50.09 75.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.161 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -54.74 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.927 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.55 -47.68 69.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 70.5 110.884 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -56.86 -42.65 80.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.873 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -71.27 -27.55 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.951 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -59.1 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 73.23 110.924 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -55.14 -30.11 59.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.6 m -84.4 -32.54 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.44 111.149 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.85 133.27 9.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 60.02 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 139.14 39.6 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.742 2.295 . . . . 74.41 112.413 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -54.89 -26.64 37.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 72.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.88 -32.62 66.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.45 27.57 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 73.5 110.867 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 tp -115.59 -30.04 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 72.55 110.95 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.12 148.63 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 74.44 110.942 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.97 142.05 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.905 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -106.64 -28.51 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.84 29.62 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.062 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.34 158.4 18.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 75.15 112.446 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -60.01 -31.84 70.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 74.54 111.144 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.7 p -53.69 -48.3 69.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.17 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -68.59 -36.76 79.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.93 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -77.29 -4.6 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.92 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.73 -36.63 79.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.9 mt -99.63 156.54 35.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 75.04 110.869 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.65 1.96 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 72.42 112.352 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.4 -38.75 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 75.12 110.852 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -51.59 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.72 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.122 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -69.89 -25.41 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.0 t -77.97 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.67 26.01 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.79 132.34 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 64.14 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.99 179.83 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.81 66.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.101 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -58.34 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 60.02 111.114 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -54.01 -50.36 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.837 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.48 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 63.42 111.069 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -56.61 -44.61 81.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.12 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.14 -43.91 78.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -36.49 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.835 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.73 -58.22 9.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.901 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.12 59.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.41 111.099 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -114.31 73.74 2.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 74.41 110.928 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.59 36.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 72.13 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.7 p -66.89 -11.06 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.1 mtp -80.14 -15.3 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.871 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.99 165.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.44 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -78.6 165.08 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.847 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.506 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -174.61 154.94 1.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.643 0.735 . . . . 73.52 110.886 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.5 Cg_endo -69.76 157.02 92.5 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 -1.801 . . . . 74.15 112.39 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.81 135.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.51 124.19 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -108.22 130.33 55.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.988 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -160.48 116.39 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.49 49.87 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.808 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 60.84 21.81 59.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 55.32 112.53 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -113.14 124.57 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 75.24 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -100.73 126.81 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttm -121.26 140.17 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.891 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.3 142.15 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 75.01 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.47 169.55 14.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 74.34 112.5 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -141.78 155.06 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 74.21 110.889 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -53.98 160.69 2.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.514 0.673 . . . . 74.02 110.917 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.59 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.612 2.208 . . . . 72.25 112.412 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.34 82.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.15 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -70.66 -47.66 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.48 -42.43 78.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.906 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.64 -46.8 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.78 -48.25 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.038 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -47.22 71.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 72.22 110.948 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -59.23 -26.39 64.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -85.61 124.1 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.874 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.941 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.437 0.465 . . . . 53.12 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.74 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 72.12 112.315 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.44 118.51 4.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 74.2 112.413 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -89.49 -34.17 16.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 72.23 110.88 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ttm 53.72 55.03 9.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -121.28 162.74 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.867 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.7 t -104.98 144.17 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.153 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.5 m -106.51 127.46 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.13 111.082 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.81 137.57 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 71.1 111.131 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.9 157.97 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.06 -161.58 25.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.441 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 pt -140.65 176.57 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 72.24 111.091 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -80.58 -54.82 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -74.56 74.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 73.35 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -157.07 157.36 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.842 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.39 -29.17 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 72.04 110.852 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -43.09 97.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.081 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 82.5 mmm -51.93 -36.41 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.807 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -61.48 -51.39 68.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 72.34 110.813 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -60.19 -46.88 88.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.62 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.24 111.052 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.98 -48.97 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 73.42 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.5 -37.04 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 74.45 111.092 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -66.72 -55.9 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.85 -41.55 91.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.962 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.99 -41.2 82.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.08 -45.92 92.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.74 -17.06 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.827 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.29 16.29 27.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 63.21 112.478 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.35 148.35 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 111.129 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.26 124.23 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.933 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -113.6 156.4 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.896 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.47 107.15 17.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 75.32 111.1 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.14 116.49 17.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.829 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.12 123.77 40.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.35 126.63 46.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -60.13 -37.4 79.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.947 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -74.29 -58.14 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -54.33 -47.44 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.894 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -68.85 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.35 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.47 98.25 1.27 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.855 -0.688 . . . . 73.2 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 126.85 31.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 73.22 110.958 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -118.3 176.19 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.898 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.89 88.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 74.43 111.044 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.98 -48.54 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 71.42 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -51.35 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.113 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.29 -51.34 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.961 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.82 -49.41 77.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.5 110.823 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -59.42 -30.59 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.52 110.899 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.29 -48.61 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.865 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -66.17 -24.42 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.892 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 m -96.16 -32.43 12.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.11 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -133.55 133.34 22.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 60.02 111.13 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 137.1 34.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.731 2.287 . . . . 74.41 112.386 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.47 -29.57 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -56.25 -34.24 66.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.85 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -123.06 28.82 7.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 73.5 110.889 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tt -114.25 -24.73 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.55 110.933 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -116.62 149.76 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.951 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -51.57 143.82 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.936 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -45.67 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.94 29.56 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 72.12 111.106 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.62 148.08 18.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 75.15 112.493 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -51.56 -31.74 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 74.54 111.199 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.198 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.12 -34.57 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -76.34 -5.32 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.59 -28.32 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.87 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.31 159.0 40.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 75.04 110.91 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 178.94 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.641 2.228 . . . . 72.42 112.43 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -71.23 -30.13 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 75.12 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.23 -46.53 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.843 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.7 t -72.37 -37.0 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 71.3 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -69.76 -25.44 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -96.2 -24.85 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.906 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -97.0 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 74.32 110.872 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.43 130.95 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 64.14 111.168 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -178.97 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.864 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.96 -56.89 11.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.33 -56.6 12.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 60.02 111.083 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -47.59 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.819 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.46 -54.36 27.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 63.42 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -57.35 -46.92 82.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.798 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.96 -44.86 91.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.15 -54.32 48.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 30.2 mmt -59.09 -32.79 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 72.4 110.876 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.83 -48.09 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.869 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.41 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 73.41 111.111 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 82.16 54.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.35 16.0 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.726 2.284 . . . . 72.13 112.33 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -63.93 -14.18 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.814 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -17.77 53.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.899 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.6 138.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.44 111.125 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -51.53 168.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 75.14 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -172.88 154.98 2.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.723 . . . . 73.52 110.889 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.1 Cg_endo -69.73 164.91 77.93 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 -1.798 . . . . 74.15 112.373 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.43 132.18 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.172 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -116.05 130.34 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -105.01 135.44 46.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 64.52 110.891 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -160.97 125.64 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.866 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t70 55.78 27.8 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.07 73.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.804 -0.713 . . . . 55.32 112.572 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -119.41 139.7 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.24 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.84 144.11 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.975 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 57.2 tpp -131.34 143.98 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.08 137.56 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.01 111.167 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.46 171.1 11.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 74.34 112.446 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -135.27 155.99 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 74.21 110.887 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -52.98 160.46 1.5 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.541 0.686 . . . . 74.02 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 72.25 112.331 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.23 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.34 -47.66 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 64.11 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.8 -42.78 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.944 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.42 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 54.12 110.879 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.02 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.043 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -81.47 -39.85 24.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.01 -35.06 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 73.25 110.89 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.03 128.12 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.92 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 121.448 0.471 . . . . 53.12 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -171.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.12 112.37 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.71 62.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.716 . . . . 74.2 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -83.3 -50.56 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 72.23 110.82 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.1 ttm 56.05 66.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 62.03 110.839 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -81.35 139.36 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.835 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.5 t -106.1 134.83 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 75.54 111.096 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -108.12 127.37 53.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 74.13 111.188 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -114.71 137.48 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 71.1 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.07 139.22 47.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.94 -166.77 16.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 61.14 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 pt -130.16 176.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 72.24 111.131 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -95.88 -25.45 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.899 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.4 59.13 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 73.35 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -155.49 156.46 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -32.85 6.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.88 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -51.82 -29.77 20.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.152 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 mtp -55.49 -45.16 77.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.947 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -62.66 -45.55 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.905 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -47.64 81.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.24 111.084 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.79 -49.08 77.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mt -58.11 -36.41 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.45 111.061 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.9 -55.63 12.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.894 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.13 -43.25 95.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -43.27 90.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.83 -43.58 98.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.954 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -65.67 -16.94 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.795 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.82 12.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 63.21 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.33 142.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.32 111.15 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -91.38 107.93 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.825 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -117.96 130.1 56.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.95 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -85.49 114.39 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.32 111.152 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.16 117.66 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.41 110.913 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.04 123.05 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.07 140.89 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -51.73 -32.91 32.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.989 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -85.68 -46.37 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.3 110.874 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -54.11 -47.44 71.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 74.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.44 -25.22 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.883 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 97.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 73.2 112.442 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.94 110.16 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 73.22 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.48 176.37 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.914 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.43 111.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.08 -51.41 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 71.42 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.28 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 73.34 111.147 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -46.47 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -59.71 -51.9 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -56.99 -37.09 71.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.38 -31.61 64.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.868 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -52.56 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -58.15 -26.88 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.917 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 m -88.33 -30.35 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.207 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -148.59 133.24 8.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 60.02 111.149 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.16 39.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 74.41 112.356 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -52.8 -29.71 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.907 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.25 -32.52 48.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.885 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -120.64 25.69 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.5 110.845 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 tp -116.99 -28.2 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.45 149.52 39.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 143.07 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 72.12 110.887 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -106.45 -56.61 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.907 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.68 25.88 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 72.12 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.39 162.42 26.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 75.15 112.433 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.8 p -64.77 -34.13 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 74.54 111.132 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -41.41 65.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.01 111.169 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.07 -35.36 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -73.65 -12.7 60.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.98 72.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mp -86.08 157.91 56.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 75.04 110.891 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 179.38 3.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.649 2.232 . . . . 72.42 112.327 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.36 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.9 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.41 -51.69 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.846 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.64 -30.61 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.072 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -74.79 -25.55 59.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -94.17 -24.99 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.881 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.13 36.57 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -101.36 130.62 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 64.14 111.177 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.33 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.21 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.126 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.74 -58.38 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 60.02 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -52.1 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.18 -50.62 58.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 63.42 111.084 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -60.79 -35.43 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.29 -44.04 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.41 -45.7 93.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.928 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.7 mmt -72.48 -32.97 66.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.894 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.11 -58.43 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.05 -46.09 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 73.41 111.043 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.39 75.92 2.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 74.41 110.893 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.29 23.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 72.13 112.354 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 t -63.49 -16.39 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 60.53 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -19.41 46.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.2 110.943 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -60.46 148.92 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.116 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -67.99 122.33 17.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.511 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 7.7 mmm180 -123.36 157.39 61.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 73.52 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.74 176.68 31.55 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.793 . . . . 74.15 112.378 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.2 t -129.28 134.7 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.66 121.75 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.82 123.48 50.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -171.67 141.6 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.762 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 53.76 35.86 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.877 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.0 17.11 50.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 55.32 112.45 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -119.66 125.62 49.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.344 . . . . 75.24 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.0 tp -96.7 135.81 38.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.969 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.4 tpp -126.78 145.66 50.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.87 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.93 140.29 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.091 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.4 131.57 44.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.491 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.96 156.12 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 74.21 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -51.9 159.09 1.47 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.581 0.705 . . . . 74.02 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -48.63 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.628 2.219 . . . . 72.25 112.39 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.38 78.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.114 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.87 -48.04 40.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 64.11 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.38 -43.29 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.929 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.56 -50.49 36.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 54.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.24 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.177 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.68 -38.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.956 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -96.4 30.21 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 175.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.896 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 74.21 110.886 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 121.479 0.488 . . . . 53.12 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 167.31 24.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 72.12 112.291 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.67 100.61 2.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 74.2 112.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -85.41 -48.12 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 72.23 110.853 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 mtt -84.01 146.36 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.03 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -133.04 167.76 19.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.851 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t -120.05 142.34 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 75.54 111.106 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -120.4 135.03 55.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.185 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.78 137.48 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.1 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -113.35 143.88 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.27 12.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 61.14 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.8 pt -129.04 176.29 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 72.24 111.14 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.44 31.42 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.928 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.43 25.92 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.865 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.04 -174.04 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.905 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.16 -31.44 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -55.06 -54.59 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 64.53 111.142 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mmm -51.93 -40.44 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -56.12 -51.52 67.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 72.34 110.89 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -61.2 -46.79 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 75.24 111.059 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.95 -48.94 78.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.945 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.36 -35.98 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.76 -55.9 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.93 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.56 -46.09 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 74.24 110.922 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.81 -49.35 75.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.925 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.22 -46.12 72.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.918 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.57 -16.98 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.04 41.74 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 63.21 112.506 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.6 mm -104.09 152.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 74.32 111.111 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.57 96.4 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.874 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.55 130.86 56.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.863 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.56 118.79 27.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 75.32 111.138 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -77.05 111.19 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.847 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.99 114.34 22.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.817 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.05 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -51.93 -32.35 32.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.924 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.96 -47.05 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -54.18 -46.71 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 74.4 110.89 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -82.88 -51.25 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 71.35 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.6 171.26 25.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 73.2 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.23 134.0 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 73.22 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.75 162.34 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.918 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.02 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.135 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.86 -51.21 70.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -51.23 62.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 73.34 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -50.06 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.883 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.03 -52.54 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.5 110.833 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.9 -32.13 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.89 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.853 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -38.79 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 73.23 110.845 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.46 -50.57 36.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.932 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -67.66 -27.22 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -148.5 133.33 9.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 60.02 111.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.27 53.74 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.68 2.254 . . . . 74.41 112.336 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -52.6 -30.78 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.96 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.7 -31.7 48.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -119.69 26.37 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 73.5 110.966 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.66 -21.86 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 72.55 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 pp -123.23 147.82 46.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.0 143.98 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.852 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -36.34 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.854 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.96 -23.18 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.12 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.87 150.22 9.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 75.15 112.525 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.0 p -52.64 -32.55 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 74.54 111.163 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -39.03 62.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.159 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -77.87 -35.65 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.74 -4.38 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.836 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -60.19 -23.33 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.931 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.35 155.6 53.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 75.04 110.978 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 155.78 65.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 72.42 112.363 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.4 -32.29 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.44 -51.63 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.851 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.7 -30.71 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.167 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.82 -35.62 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.2 110.869 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -66.05 -14.64 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.905 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -78.68 -15.23 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.943 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.86 134.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 64.14 111.107 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -141.41 -179.02 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.02 110.799 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.53 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 74.4 111.109 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.57 -53.55 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 60.02 111.12 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -53.85 -51.09 64.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.8 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.44 -53.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 63.42 111.131 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -54.41 -46.53 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.896 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.09 -50.02 75.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 35.1 mmt -66.53 -32.61 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.949 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.27 -48.42 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.135 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -125.32 78.73 67.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 74.41 110.839 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 72.13 112.347 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.5 t -66.64 -11.04 51.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 60.53 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -16.06 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 74.2 110.853 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.8 m -56.67 165.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.094 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 173.9 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.901 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.494 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 9.3 ptt85 -179.74 159.31 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 73.52 110.811 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.76 140.6 61.53 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 74.15 112.326 -0.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.9 t -95.39 126.77 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.126 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.43 122.65 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 72.44 110.938 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.51 143.14 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.832 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -150.31 110.33 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 74.21 110.867 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t0 59.45 28.01 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.869 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.04 -37.42 3.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 55.32 112.466 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -65.99 132.88 49.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 75.24 110.862 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.9 141.09 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.959 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.8 ttm -134.8 153.59 51.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.848 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 19.9 m -91.75 135.36 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.197 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 178.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -141.2 155.79 46.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.984 0.421 . . . . 74.21 110.885 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.47 159.21 1.71 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.628 0.727 . . . . 74.02 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 72.25 112.36 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 74.33 111.12 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -70.25 -48.2 57.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 64.11 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.51 -42.67 74.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.48 -46.82 63.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.35 89.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.104 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -35.96 67.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.899 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -96.56 30.42 2.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.968 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -92.33 137.21 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 73.12 110.919 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.914 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.485 0.491 . . . . 53.12 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.08 26.95 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.704 2.269 . . . . 72.12 112.384 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.59 76.42 0.15 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 74.2 112.465 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -70.98 -56.29 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.23 110.868 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.6 mmt -141.33 166.94 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 62.03 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -145.08 178.48 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 t -130.54 139.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 75.54 111.134 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.77 138.65 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 74.13 111.194 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.5 tt -114.71 138.54 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 71.1 111.066 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.0 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 73.41 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.55 -155.48 7.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.449 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 pt -137.18 176.47 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 72.24 111.186 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -92.14 -25.62 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.893 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -99.35 68.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.872 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 t -156.95 112.39 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -46.12 87.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 72.04 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -51.54 -44.81 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.53 111.154 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.5 mmm -52.94 -45.21 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.818 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -51.79 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.34 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -59.82 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.92 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -47.99 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 75.24 111.096 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -49.09 79.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.852 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.73 -34.67 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.45 111.136 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -41.15 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.08 -50.44 40.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.969 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.4 -35.48 79.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -69.03 -46.77 67.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 74.43 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -66.22 -16.01 63.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 71.45 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.64 41.22 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 63.21 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -102.87 139.33 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 74.32 111.159 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -81.12 130.23 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.882 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -173.29 135.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.939 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.9 m -91.5 135.12 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.144 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -83.05 110.1 17.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.829 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -116.71 123.71 47.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.927 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.06 149.16 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.87 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -77.13 -49.53 15.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -47.53 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.857 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -81.38 -26.01 35.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.49 139.29 9.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 73.2 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.19 117.57 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.333 . . . . 73.22 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 165.92 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.892 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.58 -41.51 63.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.065 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.52 -50.62 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -48.86 73.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.179 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -50.29 68.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 72.53 110.869 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.9 -43.93 97.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 70.5 110.874 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -55.13 -46.57 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.918 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.43 -31.66 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.863 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.877 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -68.58 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.879 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 m -80.18 -27.42 38.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.148 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.7 t -145.55 133.23 10.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 60.02 111.158 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.06 59.53 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.736 2.291 . . . . 74.41 112.411 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -52.33 -42.1 63.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.877 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -52.0 -30.1 23.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -117.66 26.79 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.5 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.89 13.46 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 72.55 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.34 147.05 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.874 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.75 141.75 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.929 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 -47.17 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.825 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.97 -19.41 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.12 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.41 152.93 6.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 75.15 112.46 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -58.83 -31.86 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 74.54 111.12 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -48.74 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.01 111.159 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -70.04 -34.71 73.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.877 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -76.93 -5.11 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.91 -39.37 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.4 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.9 158.91 39.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 75.04 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 72.42 112.337 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -71.49 -34.26 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.79 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -66.32 -51.69 54.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.851 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.67 -35.96 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 71.3 111.136 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -78.31 -24.73 46.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 70.2 110.846 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.9 t -86.65 -24.06 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.815 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.51 24.65 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.8 t -82.8 135.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 64.14 111.109 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.54 178.32 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.873 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.4 111.096 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.09 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 60.02 111.125 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -40.85 68.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.852 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 63.42 111.053 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -41.47 96.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.914 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.34 -46.7 75.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.951 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.15 -48.83 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.86 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.83 -58.09 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.33 110.955 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -25.49 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.41 111.116 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -133.26 74.04 73.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 74.41 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 72.13 112.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p -58.56 -22.4 55.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 60.53 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -19.38 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.925 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.01 139.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.114 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 159.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.89 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -173.67 154.34 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.52 110.855 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.0 Cg_endo -69.7 166.17 74.58 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 74.15 112.345 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -129.15 128.53 67.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.075 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -111.86 119.9 40.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.58 138.11 39.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.52 110.926 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -174.85 141.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.886 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.01 36.76 27.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.813 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.55 16.04 54.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 55.32 112.53 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -119.67 138.91 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 75.24 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tp -97.63 130.1 44.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.941 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 38.5 tpp -113.29 142.95 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.5 m -91.65 139.7 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.01 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.35 129.96 40.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.497 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.51 142.0 28.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 74.21 110.862 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.48 159.25 1.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 74.02 110.865 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.591 2.194 . . . . 72.25 112.343 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.78 79.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.1 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.62 -48.64 37.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.918 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.67 -43.32 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.906 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.35 -50.66 36.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.75 66.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.106 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -81.07 -44.76 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -35.65 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 73.25 110.9 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -67.83 162.17 24.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.919 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 121.433 0.463 . . . . 53.12 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 165.14 32.08 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.692 2.261 . . . . 72.12 112.33 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.21 77.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 74.2 112.524 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -70.68 -52.3 22.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 72.23 110.893 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 mtm -98.76 176.03 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 62.03 110.89 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -124.91 124.09 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 75.24 110.916 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.13 136.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 75.54 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.21 136.57 49.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.064 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 tt -114.81 139.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.1 111.106 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.63 120.56 41.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.74 -167.79 15.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 61.14 112.488 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.9 pt -123.75 176.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 72.24 111.172 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -96.95 -25.91 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.881 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.98 63.73 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.901 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -157.0 145.28 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.04 -40.0 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.04 110.836 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -51.65 -40.32 59.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 64.53 111.134 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -32.56 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 72.34 110.835 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.71 -51.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.953 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -60.77 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.831 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.47 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -63.14 -49.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mt -58.47 -36.51 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.45 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.17 -51.02 50.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.92 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.45 -48.7 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 74.24 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -66.78 -34.73 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.967 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.1 -45.75 92.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.919 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -76.4 -16.8 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 71.45 110.824 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 48.75 6.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 63.21 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -94.75 144.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 74.32 111.133 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.93 102.04 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.845 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.74 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.88 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 m -96.91 138.04 35.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 75.32 111.164 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -86.2 115.56 23.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 123.83 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.848 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.73 146.03 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -51.95 -33.92 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.904 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -86.48 -46.44 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.939 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -54.34 -29.46 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.888 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.47 -26.66 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.818 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.47 98.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 73.2 112.463 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.88 111.21 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 73.22 110.915 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.01 177.29 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.888 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.52 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.106 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.5 -51.11 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.932 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -49.2 78.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 73.34 111.178 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -45.16 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.93 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.49 -51.19 69.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.873 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -57.62 -36.31 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.916 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -73.33 -34.76 65.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.871 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -40.74 81.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.89 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -69.27 -47.96 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.906 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 m -68.32 -32.5 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.128 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -142.73 133.28 12.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 60.02 111.148 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 141.02 44.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.764 2.309 . . . . 74.41 112.355 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -55.28 -27.49 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.24 -33.66 67.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -116.76 26.0 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 tp -117.66 -30.15 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.55 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -120.2 136.99 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.888 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.407 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -51.18 144.51 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.12 110.88 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -47.81 2.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.854 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.42 26.74 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.12 111.055 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.86 152.94 17.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 75.15 112.445 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -52.05 -32.37 34.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.906 0.384 . . . . 74.54 111.084 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -51.25 62.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 75.01 111.168 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -72.44 -34.86 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -67.02 -14.62 63.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.76 -25.29 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.907 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -81.62 158.27 68.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 75.04 110.869 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 176.31 6.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 72.42 112.391 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.58 -38.21 80.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.2 -51.63 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.05 -30.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.132 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -69.92 -26.22 64.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -98.91 -22.9 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 72.44 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.65 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -92.52 131.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 64.14 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.15 -172.0 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.815 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.42 4.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.4 111.098 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.04 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 60.02 111.112 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -50.46 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.02 110.811 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -47.84 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.42 111.042 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.42 90.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.828 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.71 -48.06 78.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.05 -53.84 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.952 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.38 -32.66 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.938 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.09 16.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.064 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.01 75.05 38.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 74.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 72.13 112.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -66.81 -11.22 54.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.53 110.808 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 mtp -80.0 -15.59 56.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.2 110.896 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.4 m -60.94 148.64 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 75.44 111.145 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -52.55 169.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.905 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.502 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -177.79 158.87 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 73.52 110.903 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.71 148.24 86.21 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 -1.774 . . . . 74.15 112.329 0.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.82 129.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.11 111.164 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.18 127.45 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.907 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.89 128.52 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.52 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -142.95 112.06 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.07 27.2 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.866 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.68 -23.93 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 55.32 112.513 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -73.93 125.13 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 75.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.9 tp -99.34 128.68 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.3 ptp -126.14 147.91 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.921 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.48 145.66 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.01 111.137 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 168.35 17.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.484 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -132.71 155.6 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 74.21 110.854 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -52.83 160.67 1.38 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 74.02 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 72.25 112.323 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.49 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -49.05 51.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.893 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.84 -42.7 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.918 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.35 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 54.12 110.828 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.48 -27.4 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.123 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -82.55 -54.59 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.981 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.78 -26.77 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.961 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -66.31 146.78 54.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 73.12 110.928 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.924 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 121.366 0.425 . . . . 53.12 112.528 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -46.12 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 72.12 112.334 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.92 -167.27 27.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 74.2 112.452 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -88.62 -43.79 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 72.23 110.827 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.15 158.14 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 62.03 110.826 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -144.68 126.94 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.84 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.4 148.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 75.54 111.141 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m -118.33 130.14 55.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 74.13 111.162 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 tt -115.4 137.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 71.1 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -119.14 135.43 54.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.62 -163.37 25.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 61.14 112.568 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.81 172.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.918 0.39 . . . . 72.24 111.14 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -98.76 165.17 11.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.898 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 56.73 42.24 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.938 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 t -123.12 128.22 49.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 72.32 110.89 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.22 -51.25 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.04 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -51.84 -55.67 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.136 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mmm -51.94 -48.39 64.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.92 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -52.56 -51.42 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.927 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -57.91 -44.88 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.931 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.65 68.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.24 111.093 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -56.91 -49.07 76.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.867 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.69 -34.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.141 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -55.89 12.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.26 -41.28 83.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.927 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.95 -45.79 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 74.43 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -62.86 -17.02 60.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.823 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.91 18.04 21.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 63.21 112.434 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.45 147.8 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 74.32 111.133 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.07 120.51 42.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.89 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.32 143.99 43.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 75.43 110.928 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.91 112.73 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 75.32 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -77.37 117.81 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.835 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -119.52 123.91 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.855 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.2 129.51 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.19 -36.91 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.45 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -79.41 -48.81 13.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.844 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -47.37 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.924 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -39.57 86.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.35 110.881 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.47 96.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 73.2 112.475 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.7 131.26 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 73.22 110.897 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.31 153.44 29.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.874 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.68 -49.17 62.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.057 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.46 -50.95 64.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 71.42 110.919 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -48.1 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.34 111.112 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -54.63 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.947 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -53.06 -52.64 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 70.5 110.796 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -56.92 -34.76 68.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.836 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -73.37 -33.34 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.876 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -38.98 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.879 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -67.07 -28.53 68.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -91.72 -28.04 17.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.105 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -138.31 133.34 17.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 60.02 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.45 44.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 74.41 112.386 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -52.2 -41.65 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.09 -29.4 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -116.22 25.14 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.95 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.02 -24.64 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 72.55 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.53 149.39 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.972 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.97 143.77 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.12 110.886 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -115.99 -31.52 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.92 -23.27 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 151.73 26.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 75.15 112.483 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.6 p -52.74 -33.62 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 74.54 111.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.13 62.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.01 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -78.1 -34.85 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -78.33 -4.33 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -60.23 -23.16 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.93 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.66 155.69 56.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 75.04 110.943 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 156.24 63.73 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 72.42 112.341 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.49 -34.58 36.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -64.98 -51.69 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.819 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.53 -33.95 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.145 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -70.33 -27.54 64.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -15.96 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.833 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -78.95 -3.19 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.884 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.03 131.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 64.14 111.193 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.18 -178.91 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.88 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 74.4 111.136 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.26 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 60.02 111.072 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -51.95 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.816 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.14 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 63.42 111.078 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.09 -39.31 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.811 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.3 -43.92 80.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.45 -49.67 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -32.34 73.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.87 -47.13 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 74.33 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.32 -48.28 20.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 73.41 111.068 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -124.64 79.91 62.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 74.41 110.931 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.747 2.298 . . . . 72.13 112.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -18.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.53 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -19.43 45.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 74.2 110.869 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.68 145.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.149 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 171.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.877 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.5 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -174.71 159.53 2.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 73.52 110.893 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.83 143.31 73.64 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.729 -1.78 . . . . 74.15 112.324 0.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.72 125.78 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.141 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.83 122.77 48.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.54 130.14 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.52 110.9 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -152.07 122.69 7.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.66 27.43 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.864 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.91 -39.47 2.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 55.32 112.456 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -67.66 135.13 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 75.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -100.02 154.16 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.969 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mmm -136.95 145.09 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.837 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.82 125.55 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.21 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.41 139.2 45.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 74.34 112.46 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.9 156.04 17.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 74.21 110.854 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -51.75 160.84 0.99 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 74.02 110.862 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -48.48 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.28 . . . . 72.25 112.323 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.64 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.096 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.17 -48.9 39.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 64.11 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.09 -42.9 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.912 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.6 -50.43 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 54.12 110.853 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.35 -25.07 65.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.056 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -81.86 -56.55 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.957 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -62.37 -26.96 68.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 73.25 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -63.55 172.98 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.857 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.944 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.426 0.459 . . . . 53.12 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.99 7.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 72.12 112.339 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.0 60.6 4.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 74.2 112.476 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -55.1 -61.32 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 72.23 110.848 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 ptm -126.3 153.27 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 62.03 110.873 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -108.33 131.52 54.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 75.24 110.915 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.8 t -87.15 144.39 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 75.54 111.109 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -105.07 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 74.13 111.157 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -114.84 137.67 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 71.1 111.096 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -108.36 153.19 23.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.78 -169.57 36.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.14 112.459 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.14 176.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 72.24 111.142 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.64 -25.91 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.34 70.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 73.35 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -156.95 141.94 17.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.901 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -89.62 -36.19 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.81 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -51.87 -44.27 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 64.53 111.09 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.1 mmm -52.26 -38.14 57.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.88 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.5 -51.48 69.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.25 -48.96 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.863 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.24 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -61.28 -48.17 82.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.88 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.13 -36.63 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 74.45 111.138 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -68.25 -55.85 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.75 -38.66 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -70.52 -49.11 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.99 -44.9 74.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.814 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -62.72 -17.03 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 27.77 12.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 63.21 112.457 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.0 mt -107.4 150.23 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 74.32 111.133 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -118.97 112.13 19.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.778 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.2 151.73 30.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 75.43 110.883 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -82.6 111.48 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.091 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -77.31 121.08 23.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.41 110.865 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.23 123.86 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.04 136.95 33.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 73.34 110.83 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -51.72 -32.26 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.915 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -88.79 -46.65 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.948 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.26 -46.14 72.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.88 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -32.03 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.922 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.51 97.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.429 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.67 132.55 42.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.333 . . . . 73.22 110.923 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -122.66 179.43 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.868 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.95 65.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.129 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -52.86 -51.31 61.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.31 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.22 -49.86 65.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.91 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.5 -39.25 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 70.5 110.859 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -61.83 -43.52 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -73.15 -34.13 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.921 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 73.23 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.855 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 -32.95 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.113 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -137.03 133.39 18.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.616 0.722 . . . . 60.02 111.153 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.48 53.93 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.661 2.241 . . . . 74.41 112.342 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.938 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.8 -27.16 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -123.15 22.95 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.5 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.73 0.33 6.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.907 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -150.51 135.24 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.66 143.98 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.12 110.948 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 -23.39 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 73.11 110.891 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.79 30.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.12 111.134 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.72 169.78 15.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 75.15 112.401 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -51.58 -31.2 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.54 111.163 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p -52.79 -38.15 60.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 75.01 111.092 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -78.22 -34.79 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 75.02 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -79.56 -3.81 48.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.895 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -59.97 -30.06 68.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.875 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.07 158.07 43.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 75.04 110.879 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -179.72 3.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 72.42 112.351 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -71.32 -48.31 51.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 75.12 110.891 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.58 -35.05 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 73.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -85.66 -46.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.143 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -45.15 79.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.872 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.865 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.42 26.08 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.8 129.95 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 64.14 111.085 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -178.61 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.12 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 74.4 111.125 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.2 8.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 60.02 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -54.73 -51.67 64.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.807 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.96 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 63.42 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -52.28 -43.26 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.98 -34.21 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.62 -38.65 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.847 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -43.65 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.905 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.14 -42.98 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.915 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -47.97 35.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 73.41 111.108 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.24 78.2 52.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 74.41 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.9 22.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 72.13 112.333 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -59.4 -20.76 57.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.53 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.2 ptp -86.23 -17.68 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.86 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.88 143.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 75.44 111.132 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -51.38 161.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 75.14 110.866 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.504 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -171.82 159.9 4.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 73.52 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.63 156.6 92.36 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 -1.793 . . . . 74.15 112.401 -0.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.0 t -116.12 136.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.11 111.136 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 mp -114.45 127.36 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -111.68 135.58 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 64.52 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -163.85 123.71 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.942 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 53.23 28.8 7.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.838 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.93 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 55.32 112.455 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -61.65 125.01 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 75.24 110.955 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -97.16 152.56 18.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 75.31 110.883 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ttp -134.14 141.06 46.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.925 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.89 136.74 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.01 111.158 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 166.88 20.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.473 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -138.83 155.82 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.21 110.874 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -52.31 160.67 1.21 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 74.02 110.895 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 72.25 112.312 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.82 80.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.045 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -71.28 -48.51 50.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 64.11 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.66 -42.65 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.911 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.34 -50.46 38.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.09 -29.19 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.083 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -82.62 -38.07 24.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.992 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.78 -25.83 43.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 73.25 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.73 149.16 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.935 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.873 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 66.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.903 0.383 . . . . 54.24 111.093 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.621 HG23 ' HB ' ' A' ' 33' ' ' THR . 16.0 m -111.31 130.11 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 55.12 111.102 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 ' CB ' ' A' ' 97' ' ' PRO . 11.0 tt -114.69 137.39 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 62.44 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.97 155.98 25.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 60.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.54 -138.97 5.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.798 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -133.33 176.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.365 . . . . 72.24 111.145 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -103.21 -25.84 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.873 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -91.08 61.91 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 43.33 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.664 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.4 t -156.95 141.23 16.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.19 -43.83 40.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 54.43 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -51.86 -48.07 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 64.53 111.134 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 57.4 mmm -51.91 -47.28 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 72.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -60.52 -42.42 96.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 54.5 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -64.36 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.862 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.96 -51.93 22.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 53.12 111.144 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.93 -40.23 88.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 70.51 110.86 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.17 -52.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -54.29 -53.42 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.2 mm? -60.65 -43.24 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 70.24 110.908 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.33 -41.12 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.897 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -67.43 -40.39 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.853 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -62.75 -16.99 60.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.94 19.28 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.44 140.24 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 74.32 111.115 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.59 116.38 28.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.867 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.72 127.95 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 70.01 110.954 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.621 ' HB ' HG23 ' A' ' 8' ' ' THR . 34.7 m -84.54 114.53 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -76.96 115.55 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -124.24 123.76 40.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.813 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.54 146.59 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 70.42 110.847 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.798 ' CD1' HG22 ' A' ' 12' ' ' ILE . 37.4 p90 -51.68 -38.63 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.931 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -30.31 26.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 74.3 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.66 -47.42 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.907 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.43 -24.88 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.24 96.25 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 54.13 112.48 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.877 HD11 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -81.53 123.03 28.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 61.22 110.951 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' C ' HD21 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -141.16 177.47 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 53.01 110.883 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.4 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 54.41 111.075 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.85 -51.42 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 65.44 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.677 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -59.42 -47.73 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.137 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.7 -50.58 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.912 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -57.72 -48.31 79.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 70.5 110.886 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -42.12 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.896 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.677 ' CE2' HG22 ' A' ' 46' ' ' THR . 20.6 m-85 -68.1 -51.63 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -59.6 -26.64 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.936 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -82.48 -24.05 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.903 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.9 m -83.95 -33.33 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 72.44 111.169 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.744 HG23 ' CD1' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -141.24 158.04 65.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 51.22 111.132 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.14 41.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 74.41 112.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HB3' HD21 ' A' ' 51' ' ' LEU . 46.0 p-90 -57.45 -24.14 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.921 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.48 -30.52 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -111.96 27.39 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -109.82 -22.92 11.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 61.44 110.935 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 ' CE ' ' A' ' 93' ' ' MET . 1.7 pp -132.55 133.32 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 6.2 p-10 -51.79 143.91 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.852 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -116.08 -18.21 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.19 29.84 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 40.23 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 61' ' ' ASN . . . -122.89 -161.48 11.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 64.14 112.503 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -81.64 -31.58 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 74.54 111.144 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 93' ' ' MET . 62.3 p -52.87 -51.73 60.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -69.19 -36.34 77.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.02 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.4 -14.85 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 73.52 110.852 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -60.84 -52.63 64.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -70.25 159.1 85.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 75.04 110.942 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.2 Cg_endo -69.7 -176.43 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 72.42 112.394 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.11 -36.65 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.909 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -65.52 -51.44 59.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 70' ' ' LEU . 86.3 t -66.26 -44.89 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -51.97 -30.15 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 70.2 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.9 t -99.14 -20.97 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.4 42.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.86 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.31 138.4 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.53 164.32 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.834 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.14 111.122 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.37 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 55.31 111.086 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.8 m -53.74 -51.79 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.86 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.04 -56.25 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 62.1 111.054 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -51.59 -43.74 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.98 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.893 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 82' ' ' SER . 3.5 mm? -70.15 -36.79 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.11 110.929 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.714 ' CB ' HD21 ' A' ' 47' ' ' LEU . 35.3 mmt -72.36 -43.4 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -69.82 -35.6 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.0 -48.18 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.075 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.75 77.19 51.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 74.41 110.89 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.501 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.77 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 71.34 112.369 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -63.82 -16.23 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 60.53 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB2' HG21 ' A' ' 66' ' ' THR . 8.3 ptm -90.95 -14.82 30.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.581 HG22 ' SD ' ' A' ' 87' ' ' MET . 88.7 t -51.03 144.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.05 111.125 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.0 pttt -50.63 153.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.41 110.869 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -171.16 155.92 4.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 73.24 110.848 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.79 169.05 65.37 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 -1.817 . . . . 63.23 112.344 0.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD21 ' A' ' 105' ' ' LEU . 93.0 t -127.61 133.71 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 75.11 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.3 126.92 53.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 64.2 110.934 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -113.93 121.39 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.882 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.45 112.13 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 74.21 110.87 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 59.92 31.51 20.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.53 -45.03 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 31.54 112.487 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -56.53 124.15 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 41.15 110.867 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.532 HD21 HG13 ' A' ' 98' ' ' VAL . 6.9 tt -99.15 143.25 29.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.938 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.3 ttp -130.32 149.67 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.932 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.651 HG22 ' HD2' ' A' ' 95' ' ' LYS . 22.0 t -91.87 142.54 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.108 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 147.27 49.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.492 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.5 155.97 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 74.21 110.868 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -63.32 160.69 39.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.551 0.691 . . . . 73.41 110.958 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 72.25 112.354 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.1 81.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 74.33 111.052 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.36 -49.51 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 63.54 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.87 -42.46 72.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.901 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.55 -50.51 36.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 54.12 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.69 64.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.106 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -82.67 -59.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.921 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.902 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.439 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 17.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.91 0.386 . . . . 54.24 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -122.06 131.73 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.118 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 97' ' ' PRO . 11.2 tt -114.72 137.38 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.165 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -109.19 139.31 44.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.97 -168.49 24.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.6 pt -130.57 176.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.24 111.117 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -108.35 175.59 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.873 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.63 26.36 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 43.33 110.821 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -121.4 -176.87 3.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.823 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -120.89 -33.53 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.828 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -51.48 -51.3 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.109 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.0 mtp -52.22 -32.52 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.839 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -60.3 -51.79 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.5 110.881 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -65.46 -43.35 90.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -61.11 -47.59 85.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 53.12 111.102 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.31 -49.4 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 70.51 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.456 HG22 ' OD2' ' A' ' 27' ' ' ASP . 39.1 mt -59.67 -36.16 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.11 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.74 -51.2 43.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 74.25 110.92 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -57.39 -47.3 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 70.24 110.924 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.35 -34.51 76.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' OD2' HG22 ' A' ' 23' ' ' ILE . 5.2 m-20 -61.92 -46.21 90.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.865 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -72.79 -16.99 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 42.46 8.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.768 . . . . 61.3 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.42 140.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 74.32 111.084 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -80.48 115.05 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.825 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 25' ' ' LEU . 3.6 m-85 -136.31 128.27 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.942 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.0 m -88.09 117.04 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 70.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -77.14 122.24 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.885 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.49 120.39 28.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.808 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.31 142.67 30.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.687 ' CD1' HG22 ' A' ' 12' ' ' ILE . 13.5 p90 -56.44 -29.78 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.891 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -92.7 -54.91 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 74.3 110.95 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -53.98 -27.63 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.904 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.14 -32.93 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.31 160.72 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 54.13 112.529 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -140.81 123.43 16.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 61.22 110.896 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 42' ' ' LEU . 6.8 m-20 -108.87 162.64 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 53.01 110.835 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.06 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.16 -50.0 62.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 65.44 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.599 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -61.72 -50.61 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.181 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -55.15 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -53.25 -51.26 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.915 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -56.31 -37.58 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.845 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.2 m-85 -72.4 -39.29 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.4 -33.37 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.932 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -71.18 -25.72 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.904 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 m -92.12 -33.17 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.65 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.8 t -141.32 133.35 13.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.539 0.685 . . . . 51.22 111.193 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.86 144.59 53.98 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 74.41 112.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -56.36 -25.1 48.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -32.84 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -122.59 23.85 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' HB ' ' A' ' 54' ' ' VAL . 8.3 tp -116.1 -17.21 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.92 149.46 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 71.44 110.927 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.493 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.34 143.59 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.913 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.53 -47.98 3.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 27.51 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 40.23 111.096 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.46 160.0 22.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 64.14 112.47 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -51.82 -34.29 39.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 74.54 111.1 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.183 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -76.0 -34.78 59.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.904 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -20.85 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.83 -25.41 66.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.848 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.731 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -88.81 157.92 48.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 75.04 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 178.82 4.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 72.42 112.369 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -71.3 -36.08 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.855 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.26 -51.72 49.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD23 ' A' ' 70' ' ' LEU . 79.4 t -65.76 -33.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 71.3 111.125 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.91 -25.7 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 t -98.29 -23.47 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 72.3 110.945 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -93.26 42.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 63.33 110.951 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.76 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.22 111.073 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -129.61 170.18 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.876 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.35 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.14 111.053 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -58.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 55.31 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.8 m -53.99 -51.66 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.861 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.06 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.1 111.162 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -56.94 -44.05 82.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.79 -46.83 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 82' ' ' SER . 3.9 mm? -55.27 -49.34 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -32.7 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.891 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.3 tt -58.94 -55.6 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.02 -25.17 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.31 111.095 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.57 74.37 75.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.624 0.726 . . . . 74.41 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.471 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.74 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 2.215 . . . . 71.34 112.429 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 p -58.13 -23.68 55.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.834 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -19.22 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 91' ' ' PRO . 59.9 t -57.11 142.75 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.201 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 162.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.887 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.54 159.63 2.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 73.24 110.825 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.73 153.34 92.85 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.757 -1.768 . . . . 63.23 112.264 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.1 t -115.29 141.79 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.09 122.93 49.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.8 117.85 34.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.22 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 109.8 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.875 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 54.62 28.74 10.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 73.03 110.851 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 -43.07 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 31.54 112.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -54.92 134.46 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 41.15 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.97 137.19 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.95 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.5 mtp -131.57 142.82 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.851 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -93.37 142.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.082 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 164.73 24.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 74.34 112.47 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -136.91 154.41 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 74.21 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -52.5 160.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.551 0.691 . . . . 73.41 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.692 2.262 . . . . 72.25 112.385 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.37 81.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.074 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.17 -49.0 48.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 63.54 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.26 -42.07 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.52 110.935 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.6 -50.41 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 54.12 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.7 -31.33 68.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.118 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.15 -36.28 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.017 0.436 . . . . 72.22 110.995 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.816 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.693 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.2 p . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.9 0.381 . . . . 54.24 111.101 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -119.44 138.91 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 55.12 111.139 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.626 HG21 ' NH2' ' A' ' 22' ' ' ARG . 11.6 tt -114.85 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 62.44 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -106.33 133.64 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.918 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.32 21.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 61.14 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.745 HG22 ' CD1' ' A' ' 37' ' ' TYR . 6.7 pt -136.34 173.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 72.24 111.146 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.64 35.95 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.942 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.619 ' HB2' HD12 ' A' ' 12' ' ' ILE . 67.2 m-20 -142.75 45.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 43.33 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -155.8 166.41 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.35 -34.19 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.5 m -51.74 -36.93 49.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.165 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.06 65.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.834 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -57.21 -51.22 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.5 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -59.8 -43.01 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.32 110.859 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 53.12 111.162 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.626 ' NH2' HG21 ' A' ' 9' ' ' ILE . 6.0 mmp_? -60.07 -48.23 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.813 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.6 mt -58.31 -36.35 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.162 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -55.95 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.907 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -38.96 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.93 -44.24 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.839 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.34 -16.96 64.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 71.45 110.863 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.57 37.84 19.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 61.3 112.497 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -107.19 146.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 74.32 111.199 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.59 106.38 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.869 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 7' ' ' VAL . 2.4 m-85 -119.64 134.63 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 70.01 110.92 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.7 110.47 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 70.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -77.09 120.84 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.58 123.17 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.853 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.56 151.47 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.809 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.745 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.2 p90 -54.77 -29.41 53.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.834 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -90.93 -51.38 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.858 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -47.52 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.888 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.62 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.971 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.33 96.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 54.13 112.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -78.63 127.04 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 61.22 110.922 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -117.39 168.75 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.839 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -58.01 -42.25 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.17 -50.98 67.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.848 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.641 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.75 -51.44 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.133 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.03 -49.74 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.96 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.18 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.899 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.78 -39.74 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.1 m-85 -71.97 -32.1 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -70.39 -37.22 74.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 70.24 110.909 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.86 -44.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.926 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -74.64 -26.75 60.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 72.44 111.142 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -147.36 133.33 9.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 51.22 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.8 Cg_endo -69.83 138.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.606 2.204 . . . . 74.41 112.377 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.439 ' HB3' HD21 ' A' ' 51' ' ' LEU . 47.3 p-90 -54.05 -28.32 38.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -35.48 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.9 29.07 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.866 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 61.44 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.91 149.77 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.883 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.573 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -53.27 143.99 17.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.854 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 -53.33 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.03 -21.33 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 40.23 111.059 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.69 149.04 8.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.2 p -53.15 -32.98 50.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 74.54 111.106 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -37.44 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.01 111.2 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -77.93 -34.85 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -76.4 -5.55 47.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.898 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -84.35 157.22 62.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 75.04 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 178.75 4.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.686 2.258 . . . . 72.42 112.431 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.4 -35.14 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 64.42 110.889 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -67.96 -51.83 43.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.706 HG12 HD23 ' A' ' 70' ' ' LEU . 76.1 t -64.85 -30.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 71.3 111.097 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' NH2' HD22 ' A' ' 70' ' ' LEU . 3.3 mmp_? -81.97 -24.78 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 70.2 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -84.2 -24.4 30.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.51 20.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.37 129.67 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.159 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -128.59 -176.62 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.945 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -56.51 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.072 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.89 -58.34 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 55.31 111.109 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -54.27 -48.93 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.829 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.2 -46.61 62.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 62.1 111.121 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -66.21 -38.6 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.794 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.74 -48.56 74.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.04 -51.98 65.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.11 110.909 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.781 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.7 -32.56 72.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.872 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 44' ' ' ALA . 8.3 tt -65.82 -54.27 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.95 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.93 -48.32 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.31 111.112 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -122.52 78.7 46.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.41 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.63 2.22 . . . . 71.34 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -58.67 -21.03 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.53 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtp -80.47 -19.23 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 71.33 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.0 t -57.54 143.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.05 111.15 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 157.41 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 64.41 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -170.88 159.75 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.69 . . . . 73.24 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 63.23 112.296 0.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.2 139.78 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.128 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.99 123.24 49.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.2 110.904 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.29 115.41 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.22 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -150.46 128.92 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t0 59.23 37.42 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.834 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.94 22.48 72.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 31.54 112.457 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -119.11 130.49 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 41.15 110.888 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.43 134.34 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.919 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.6 mtm -126.76 146.87 50.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.841 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -91.79 136.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.01 111.193 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.13 151.59 47.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 74.34 112.48 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -129.53 155.98 44.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 74.21 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -51.48 160.71 0.93 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 73.41 110.859 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 72.25 112.263 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.07 81.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 74.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -69.78 -49.32 54.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.45 -41.11 69.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -50.51 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.933 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.14 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -80.9 -41.55 22.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.91 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 99' ' ' LEU . 22.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.806 0.336 . . . . 54.24 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -131.68 135.42 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 55.12 111.202 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 33' ' ' THR . 13.4 tt -114.74 143.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 62.44 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -118.27 136.01 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 60.44 110.902 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.67 -157.26 12.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 61.14 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 pt -136.45 155.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.24 111.134 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -95.14 50.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.876 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -155.79 30.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 43.33 110.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 p -136.49 -178.54 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 62.11 110.849 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.84 -30.73 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.834 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.5 -42.96 75.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.53 111.088 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.867 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -51.7 66.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 54.5 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.95 -38.8 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.892 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.39 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.12 111.156 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -69.63 -47.63 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 70.51 110.831 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.51 -37.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.45 111.119 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -69.32 -50.99 41.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 30' ' ' ILE . 3.5 mm? -59.68 -38.93 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 70.24 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -72.7 -48.77 36.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.913 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.53 -39.37 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.75 -16.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.843 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 40.11 10.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.701 -0.761 . . . . 61.3 112.432 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 25' ' ' LEU . 79.5 mt -102.2 143.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.857 0.361 . . . . 74.32 111.159 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -85.26 129.57 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.837 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -172.02 134.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.937 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 9' ' ' ILE . 12.6 m -90.54 134.81 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 70.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.63 115.0 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.941 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -115.69 123.87 49.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.95 139.74 42.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 70.42 110.856 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 42' ' ' LEU . 19.1 m-85 -71.28 -38.03 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.931 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -54.58 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.891 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -54.18 -47.5 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.927 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.48 -70.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.826 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.63 111.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 54.13 112.487 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -81.43 112.34 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 61.22 110.841 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.67 157.38 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 53.01 110.906 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.14 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 54.41 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.668 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.37 -45.98 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.112 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.03 -50.35 69.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.95 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.56 -43.24 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 70.5 110.855 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -58.21 -39.55 79.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.859 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 46' ' ' THR . 21.8 m-85 -73.18 -39.34 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 71.14 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -62.81 -37.9 88.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.24 110.918 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.52 -25.76 66.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 72.22 110.942 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -93.34 -25.02 17.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.44 111.115 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -144.17 133.28 11.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 51.22 111.118 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.84 145.17 55.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 74.41 112.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 60' ' ' LEU . 62.4 p-90 -52.31 -43.13 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.93 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.92 -32.04 31.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -116.01 25.91 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.89 13.18 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 61.44 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.35 147.39 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.923 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.72 140.99 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.09 -55.2 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.817 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.56 25.06 10.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 40.23 111.085 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.9 -169.89 43.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 64.14 112.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -81.31 -43.35 19.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 74.54 111.183 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 p -55.47 -43.85 75.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.68 -34.83 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.894 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -22.99 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -60.82 -43.68 97.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG11 ' A' ' 74' ' ' VAL . 20.1 mt -70.24 156.69 91.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 75.04 110.93 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 72.42 112.326 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -71.23 -36.36 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.98 -50.83 64.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.005 HG11 HD22 ' A' ' 70' ' ' LEU . 95.5 t -67.69 -42.43 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 71.3 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.95 -22.69 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 70.2 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -13.34 15.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.901 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -93.1 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.903 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.9 t -93.75 134.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 61.22 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.96 175.88 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.98 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 60.14 111.084 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.62 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 55.31 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.808 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.23 -49.64 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 62.1 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -63.86 -37.31 86.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.871 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.89 -41.27 87.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.921 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.17 -49.02 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.3 mmt -65.87 -32.61 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.4 110.871 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -55.38 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.24 -48.35 65.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.101 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -126.24 80.34 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.44 21.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 71.34 112.372 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -58.18 -21.97 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 60.53 110.801 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtp -80.47 -19.62 45.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 71.33 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -51.93 141.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -51.83 159.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.879 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -174.37 159.56 2.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 73.24 110.895 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.75 153.06 92.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 -1.803 . . . . 63.23 112.331 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.414 HG13 ' HG ' ' A' ' 105' ' ' LEU . 88.5 t -114.0 121.28 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -114.09 123.82 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 64.2 110.943 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -105.01 120.18 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.888 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -125.14 116.29 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.83 26.06 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.49 8.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 134.24 46.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 41.15 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.414 ' HG ' HG13 ' A' ' 98' ' ' VAL . 6.8 tp -97.9 134.38 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.911 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mmm -125.48 145.22 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.843 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.85 143.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 75.01 111.192 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.35 157.24 37.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.31 156.08 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 74.21 110.858 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -51.82 160.78 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 73.41 110.846 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.25 112.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.11 80.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.094 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.18 -49.52 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 63.54 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.97 -42.17 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.943 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.6 -50.4 37.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 54.12 110.939 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.82 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.13 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -82.69 -38.64 23.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.833 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 54.24 111.081 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.9 m -109.89 130.44 55.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 55.12 111.152 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.91 137.62 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 62.44 111.121 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -99.95 154.45 18.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.926 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.51 -166.81 33.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 61.14 112.457 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 37' ' ' TYR . 23.3 pt -142.48 176.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.967 0.413 . . . . 72.24 111.052 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.925 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -105.64 69.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 43.33 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -156.91 143.18 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.11 110.872 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.39 -36.35 11.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.438 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -52.75 -37.42 59.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.159 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.32 -30.71 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.85 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -51.54 57.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 54.5 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -66.95 -37.32 84.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.854 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.44 94.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 53.12 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -68.27 -48.97 63.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.848 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -58.68 -40.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -67.29 -55.0 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.89 -43.33 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.7 -47.33 69.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.67 -44.16 73.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.904 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.92 -16.89 60.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.45 23.02 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.794 -0.717 . . . . 61.3 112.509 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.7 mt -107.5 147.76 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 74.32 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.42 116.99 27.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.881 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.7 157.95 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.01 110.891 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -89.09 105.57 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 70.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.13 120.35 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -125.53 116.28 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.35 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -79.6 147.65 32.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' ' 12' ' ' ILE . 25.0 p90 -52.03 -33.13 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.994 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.878 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -53.93 -47.7 70.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.84 -23.45 52.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.56 97.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.677 -0.773 . . . . 54.13 112.489 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.91 115.16 20.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 61.22 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -119.87 178.8 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.01 110.863 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.442 ' CA ' HD11 ' A' ' 88' ' ' LEU . . . -57.67 -40.67 79.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.046 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.0 -51.4 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 65.44 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -52.86 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.34 111.09 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -52.46 -49.0 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 72.53 110.877 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.78 -53.77 54.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.817 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -56.66 -39.54 73.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.69 -27.13 61.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.906 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.77 -51.59 21.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 70.24 110.932 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -60.16 -26.94 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.94 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -89.51 -29.59 18.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 105' ' ' LEU . 57.8 t -145.97 133.4 10.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.686 0.755 . . . . 51.22 111.029 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.78 141.42 45.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 74.41 112.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -52.18 -43.76 64.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 72.32 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.74 -30.18 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -116.87 28.73 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.953 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.1 tp -127.54 6.79 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.843 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -147.98 149.6 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 71.44 110.912 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.2 p30 -51.62 138.62 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.981 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -107.23 -40.23 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.77 29.6 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 40.23 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.68 151.75 17.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.52 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.0 p -53.3 -31.84 45.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 74.54 111.194 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -49.22 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.093 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.33 -34.78 78.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -74.77 -7.14 52.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 3.9 mp -87.28 152.84 53.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 75.04 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.4 Cg_endo -69.66 -179.17 2.69 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.673 2.249 . . . . 72.42 112.407 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.4 -37.38 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.2 -51.72 65.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 70' ' ' LEU . 91.6 t -64.86 -40.04 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.103 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.53 HH21 HD22 ' A' ' 70' ' ' LEU . 5.3 mmp_? -71.79 -22.9 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.797 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -85.17 -22.43 28.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -95.3 23.84 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.33 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -81.46 135.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -133.47 -178.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.01 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 60.14 111.063 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.14 7.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -49.67 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.26 62.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 62.1 111.106 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -64.4 -49.95 69.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.799 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.6 -49.8 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.906 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.38 -53.71 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.813 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.68 -32.77 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.923 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -65.67 -56.43 12.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.904 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.8 -48.33 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 72.31 111.096 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.97 78.84 16.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.715 . . . . 74.41 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.82 -7.36 20.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 71.34 112.358 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.0 t -58.5 -20.71 48.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 60.53 110.822 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.5 mtp -80.58 -19.23 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 71.33 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 91' ' ' PRO . 58.7 t -57.45 145.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.108 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 168.71 10.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.837 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.511 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.6 ptp85 -174.83 159.44 2.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.594 0.711 . . . . 73.24 110.823 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.9 Cg_endo -69.69 152.13 91.86 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 -1.779 . . . . 63.23 112.368 -0.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 105' ' ' LEU . 90.3 t -113.16 130.44 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.11 111.183 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.24 129.5 55.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.937 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -116.71 115.24 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -146.44 125.27 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.28 28.12 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.28 -44.37 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 31.54 112.539 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.2 132.09 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 41.15 110.861 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 54' ' ' VAL . 4.5 tp -99.93 150.61 22.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.888 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.15 139.91 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 74.33 110.828 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.89 141.3 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.123 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.6 168.17 18.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 74.34 112.433 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -141.76 155.95 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 74.21 110.871 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -53.14 160.66 1.53 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 73.41 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -48.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 72.25 112.325 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.85 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.95 -49.37 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.54 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.44 -42.68 74.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.57 -50.46 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.23 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.126 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.6 -40.69 20.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.901 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.941 0.4 . . . . 54.24 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 135.3 51.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 55.12 111.184 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 33' ' ' THR . 13.0 tt -114.82 143.33 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.096 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -111.96 124.35 52.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 60.44 110.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.79 -168.34 17.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 61.14 112.562 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.99 176.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 72.24 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -90.56 -25.99 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.866 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -91.84 64.79 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 43.33 110.903 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.06 161.07 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.49 -41.12 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -51.72 -32.93 32.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 64.53 111.185 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -34.22 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.957 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 23' ' ' ILE . 4.1 tppt? -64.56 -51.62 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.5 110.911 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -52.13 66.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.869 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.93 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 53.12 111.084 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -58.63 -49.14 78.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 70.51 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 19' ' ' LYS . 22.9 mt -59.73 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.149 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.72 -50.64 49.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.934 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD13 HD12 ' A' ' 30' ' ' ILE . 4.1 mm? -57.38 -47.67 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.88 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -67.89 -35.58 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.86 -41.43 99.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 72.41 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -80.68 -17.02 52.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.12 51.7 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 61.3 112.548 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 HD13 ' A' ' 25' ' ' LEU . 83.8 mt -105.53 143.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 74.32 111.1 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -86.17 119.43 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 75.12 110.918 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -160.73 135.12 7.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.254 -0.43 . . . . 70.01 111.022 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 9' ' ' ILE . 34.6 m -92.24 135.5 33.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.89 110.33 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.4 110.929 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.58 122.76 48.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.95 136.5 33.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.83 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.517 ' HD1' HD23 ' A' ' 42' ' ' LEU . 6.9 m-85 -60.47 -43.33 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.848 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -71.77 -54.81 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -54.16 -47.52 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.953 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -67.48 -27.69 67.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 71.13 110.823 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 98.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.94 121.76 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 61.22 110.837 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.2 t70 -121.72 176.49 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 53.01 110.831 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.41 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 54.41 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.2 -50.84 71.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.934 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.436 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -63.69 -47.28 81.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 73.34 111.101 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -49.06 78.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.926 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.53 -47.55 85.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 70.5 110.884 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.2 -45.27 83.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' A' ' 46' ' ' THR . 12.9 m-85 -67.49 -33.75 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.926 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.61 -37.44 73.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.883 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -68.26 -36.5 79.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.903 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 m -82.04 -32.75 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 72.44 111.185 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.9 t -135.77 133.28 19.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.697 0.76 . . . . 51.22 111.178 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.5 Cg_endo -69.71 138.45 38.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.716 2.278 . . . . 74.41 112.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.611 ' HB3' HD21 ' A' ' 51' ' ' LEU . 56.6 p-90 -54.37 -27.47 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.861 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -53.43 -33.65 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.16 27.58 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.4 tp -114.79 -26.04 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -115.44 148.24 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.878 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.98 143.54 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.92 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -58.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.15 -18.81 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 40.23 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.79 144.58 16.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.14 112.511 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.7 p -51.96 -31.93 31.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 74.54 111.139 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -38.47 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.142 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -77.96 -35.25 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.865 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -75.4 -12.54 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.78 -51.66 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.975 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -62.95 159.07 49.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 75.04 110.879 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.8 179.77 3.49 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 72.42 112.332 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.26 -32.38 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.909 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.25 -47.69 63.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.549 HG11 HD12 ' A' ' 70' ' ' LEU . 92.6 t -71.58 -40.12 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.114 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -63.7 -25.09 68.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.888 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -99.85 -20.92 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.823 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -92.95 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.33 110.93 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.21 130.96 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 61.22 111.143 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.74 177.15 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.71 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 60.14 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.68 -56.51 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 55.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -51.67 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -47.82 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 62.1 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.77 -35.75 81.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.27 -40.24 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.823 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.88 -44.23 81.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.875 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 34.3 mmt -72.38 -32.99 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.84 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.4 tt -67.08 -58.45 4.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.835 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.3 64.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.082 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.77 74.58 79.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.541 0.686 . . . . 74.41 110.854 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.0 Cg_endo -69.81 -9.64 26.59 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.73 2.287 . . . . 71.34 112.245 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -61.63 -20.84 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 60.53 110.792 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.24 -19.27 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 91' ' ' PRO . 97.2 t -51.42 144.2 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 75.05 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -63.1 159.84 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 64.41 110.942 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.512 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 2.9 ptp85 -178.11 159.53 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.24 110.847 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.9 Cg_endo -69.6 154.86 92.99 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.756 -1.768 . . . . 63.23 112.413 -0.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.78 130.25 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.147 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.19 122.36 47.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.951 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.18 127.95 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 64.22 110.896 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -138.73 108.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.908 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t0 57.74 26.26 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.944 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.89 -33.41 6.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 31.54 112.454 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -61.91 136.43 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 41.15 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 54' ' ' VAL . 9.0 tp -109.75 120.39 42.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 mmt -114.18 138.97 49.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.41 144.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.1 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.54 146.26 49.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.42 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.69 156.01 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 74.21 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -51.89 160.66 1.08 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 73.41 110.95 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 72.25 112.299 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.87 80.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -49.36 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 63.54 110.856 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.5 -42.93 75.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.51 -50.49 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 54.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -24.22 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.23 111.084 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.66 -56.71 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.923 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 73.25 110.902 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 32' ' ' TYR . 40.3 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.88 0.371 . . . . 54.24 111.1 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -112.48 125.65 54.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 55.12 111.107 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 33' ' ' THR . 12.7 tt -114.82 140.15 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.127 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.652 ' OH ' HD23 ' A' ' 42' ' ' LEU . 5.7 t80 -89.26 149.63 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 60.44 110.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.05 174.43 34.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 61.14 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.436 HG22 ' HD2' ' A' ' 37' ' ' TYR . 25.0 pt -140.35 160.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.978 0.418 . . . . 72.24 111.165 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -71.96 142.41 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.52 110.875 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.21 56.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 43.33 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -119.94 160.57 22.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.11 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 -50.6 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 54.43 110.864 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 96' ' ' ARG . 13.3 t -51.67 -32.53 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.53 111.234 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.73 -45.92 91.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -53.89 -51.51 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -60.83 -47.23 87.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 71.32 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.99 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 53.12 111.14 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -49.15 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 70.51 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.74 -35.3 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 74.45 111.093 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -67.18 -56.0 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 HD12 ' A' ' 30' ' ' ILE . 4.4 mm? -60.21 -47.49 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.24 110.99 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.99 -45.31 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.904 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.73 -45.64 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.94 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 20.47 13.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 61.3 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD12 HD13 ' A' ' 25' ' ' LEU . 48.1 mt -107.43 148.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 74.32 111.104 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -116.32 115.34 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.856 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 7' ' ' VAL . 2.5 m-85 -114.92 143.42 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.953 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 9' ' ' ILE . 10.6 m -82.74 117.72 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -77.07 116.04 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 74.4 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -119.18 104.74 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.47 136.62 32.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HD2' HG22 ' A' ' 12' ' ' ILE . 11.3 p90 -51.38 -33.56 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.985 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -79.94 -40.39 28.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 74.3 110.879 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -54.08 -47.62 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.69 -24.06 20.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.76 100.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.435 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.652 HD23 ' OH ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -63.02 131.06 47.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 61.22 110.86 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 42' ' ' LEU . 59.8 m-20 -138.43 162.67 33.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.888 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -51.55 -31.55 24.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 54.41 111.114 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -65.68 -51.32 60.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 65.44 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 50' ' ' PHE . 3.3 m -64.05 -47.3 80.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.135 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.5 OUTLIER -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.884 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.96 -47.4 86.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 70.5 110.92 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -57.68 -40.52 79.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.1 m-85 -72.18 -33.17 67.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.871 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.02 -39.89 83.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.905 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -66.8 -29.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.905 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 p -87.98 -27.89 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.164 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 105' ' ' LEU . 59.9 t -144.11 133.29 11.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.634 0.731 . . . . 51.22 111.115 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 54' ' ' VAL . 52.6 Cg_endo -69.89 145.06 55.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 74.41 112.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -53.16 -41.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.955 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.43 -31.04 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 74.32 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -116.9 24.5 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.84 -22.44 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.44 110.876 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -117.8 149.94 39.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.96 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.5 p30 -51.46 143.59 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.865 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -56.25 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.805 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.09 29.68 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 40.23 111.089 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.56 151.48 18.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 64.14 112.503 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.5 p -52.15 -33.52 40.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 74.54 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.84 71.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 75.01 111.222 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.63 -34.8 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.874 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -76.72 -5.24 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 73.52 110.85 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.76 -40.8 93.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.43 110.921 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.13 HD22 HG11 ' A' ' 74' ' ' VAL . 12.4 mt -92.97 156.29 40.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 75.04 110.922 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.61 -178.42 2.28 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.734 2.289 . . . . 72.42 112.377 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.4 -36.19 71.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -51.76 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.13 HG11 HD22 ' A' ' 70' ' ' LEU . 80.3 t -62.23 -38.13 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.151 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 78' ' ' VAL . 6.3 mmp_? -75.74 -21.68 57.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -23.19 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -94.61 21.32 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 63.33 110.893 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 75' ' ' ARG . 10.9 p -86.73 135.68 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 61.22 111.125 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.61 179.91 5.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.873 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 60.14 111.087 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.23 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 55.31 111.081 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -51.55 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.859 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.25 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 62.1 111.073 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -59.65 -48.0 83.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.38 -53.03 62.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.943 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.97 -32.63 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.9 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 42' ' ' LEU . 2.3 tt -65.03 -56.81 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 71.42 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.25 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.07 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -119.41 79.31 20.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 74.41 110.937 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -7.45 21.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 71.34 112.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.8 m -58.48 -20.66 47.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 60.53 110.867 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.9 mtp -80.29 -19.22 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.83 136.03 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.05 111.166 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -51.65 159.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.883 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HD3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -174.44 159.67 2.64 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.632 0.729 . . . . 73.24 110.833 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.69 153.82 92.9 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 63.23 112.322 -0.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 87.9 t -117.43 137.96 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.181 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 mp -113.96 127.37 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 64.2 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -111.73 139.47 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -160.01 112.97 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 t0 54.21 30.38 12.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.85 26.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 31.54 112.474 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -72.34 123.63 23.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 41.15 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 54' ' ' VAL . 8.8 tp -100.46 146.38 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttt -133.0 139.68 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.891 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.84 127.54 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.142 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 173.08 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.522 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -144.9 156.08 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.895 0.379 . . . . 74.21 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -51.97 160.59 1.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 73.41 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -48.84 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 72.25 112.389 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.55 84.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.091 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -69.57 -48.85 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.54 110.865 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.34 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.915 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.43 -50.69 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 54.12 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.05 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -82.77 -38.66 22.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.878 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.864 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 32' ' ' TYR . 8.8 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.927 0.394 . . . . 54.24 111.126 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -125.67 140.13 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 55.12 111.165 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tt -115.39 137.45 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.44 111.131 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 35' ' ' HIS . 3.9 m-85 -97.89 145.88 26.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 60.44 110.951 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.85 -170.31 32.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 61.14 112.451 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.705 HG22 ' CD1' ' A' ' 37' ' ' TYR . 28.9 pt -130.52 174.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 72.24 111.139 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -89.59 142.29 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.862 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t30 63.36 60.01 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 43.33 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.64 163.05 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.11 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.16 -45.27 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 54.43 110.838 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -51.55 -56.97 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 64.53 111.156 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 75.0 mmm -53.46 -37.56 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -56.64 -51.56 68.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -63.74 -47.34 81.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -57.3 -44.26 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.12 111.07 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -64.28 -49.34 72.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 70.51 110.818 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.84 -36.71 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.167 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -68.53 -48.8 63.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.935 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 21' ' ' ALA . 3.8 mm? -59.4 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.86 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -67.8 -34.9 77.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.72 -46.13 89.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.823 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -17.1 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.861 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.99 36.24 8.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 61.3 112.478 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mt -107.29 143.91 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.32 111.115 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.23 120.64 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.85 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CE1' HG11 ' A' ' 7' ' ' VAL . 3.4 m-85 -136.65 134.71 37.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 70.01 110.947 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -86.66 123.53 31.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.098 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -78.23 122.61 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 40' ' ' GLU . 21.5 t-80 -126.51 119.5 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.895 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.92 136.01 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.8 p90 -52.4 -34.33 47.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.903 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -85.77 -34.55 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -53.95 -32.43 53.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 74.4 110.891 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 17.5 mm-40 -118.28 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 71.13 110.773 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.58 104.66 2.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 54.13 112.484 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 115.91 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 61.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.4 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 53.01 110.865 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.18 85.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -56.57 -51.58 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 65.44 110.924 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -53.22 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.126 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -52.36 -47.62 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.887 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.5 110.843 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -58.17 -41.96 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.856 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD22 ' A' ' 105' ' ' LEU . 14.9 m-85 -71.19 -40.5 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 70.24 110.902 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.43 -50.65 15.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -68.04 -32.46 72.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.52 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.6 t -143.9 133.38 11.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.577 0.703 . . . . 51.22 111.144 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.87 148.48 64.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.645 2.23 . . . . 74.41 112.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.517 ' O ' HD23 ' A' ' 60' ' ' LEU . 60.8 p-90 -52.41 -42.83 64.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.961 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.04 -30.18 24.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.847 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -118.19 24.92 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 54' ' ' VAL . 15.5 tp -128.55 6.53 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.905 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -150.34 148.62 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.866 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.7 p30 -52.31 143.32 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.89 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -114.61 -49.1 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.02 29.53 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 40.23 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.45 158.78 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 64.14 112.47 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -52.51 -38.26 59.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.54 111.069 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -46.56 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.01 111.144 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -70.84 -35.13 72.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -75.57 -6.19 49.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.866 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -38.91 86.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.91 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -93.18 158.82 36.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.707 . . . . 75.04 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 -177.28 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 72.42 112.358 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -36.2 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.45 -51.92 60.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.845 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 71' ' ' PRO . 78.6 t -61.84 -35.93 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 71.3 111.145 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -77.91 -22.92 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.2 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.8 t -89.21 -23.14 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.3 110.902 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -95.56 25.15 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 63.33 110.908 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.41 134.27 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.117 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -135.76 -176.11 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.9 -59.22 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.068 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 55.31 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -53.73 -51.79 62.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.89 -54.17 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.1 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -53.33 -45.97 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.98 -49.51 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 83' ' ' ALA . 11.6 mt -54.06 -52.33 61.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.2 mmt -63.08 -33.29 75.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.901 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 88' ' ' LEU . 1.5 tm? -61.17 -53.1 61.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.97 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.31 111.079 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.38 79.43 60.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 74.41 110.925 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.717 2.278 . . . . 71.34 112.361 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t -59.37 -21.29 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.9 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -19.33 46.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.33 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.5 142.76 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -50.78 147.6 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.871 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.509 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 21.4 mtm105 -153.35 160.66 30.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 73.24 110.86 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.3 Cg_endo -69.81 170.07 60.48 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 -1.813 . . . . 63.23 112.344 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 105' ' ' LEU . 92.2 t -123.88 127.89 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.57 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -107.54 122.42 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.887 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -108.53 140.71 41.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.899 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -172.58 127.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 53.99 27.56 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 73.03 110.893 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -45.1 3.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.761 -0.733 . . . . 31.54 112.577 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -61.71 128.12 34.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 41.15 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.721 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.3 tp -97.08 152.46 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.1 mtm -131.1 146.53 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.893 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.86 135.47 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 166.05 21.79 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.452 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -144.45 156.06 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 74.21 110.82 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -51.41 160.8 0.9 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 73.41 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 72.25 112.332 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.28 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.06 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.07 -49.18 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.995 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.65 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.988 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.55 -50.53 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 54.12 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -27.5 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -82.36 -41.43 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.925 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.874 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 33.4 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.99 0.424 . . . . 54.24 111.092 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.461 HG23 ' HB ' ' A' ' 33' ' ' THR . 15.6 m -119.68 130.03 54.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 55.12 111.106 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -115.11 137.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 62.44 111.17 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -114.82 149.31 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 60.44 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.76 -158.42 20.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 61.14 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 14' ' ' ASN . 43.8 pt -144.8 174.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 72.24 111.096 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -102.9 26.24 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.923 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' A' ' 12' ' ' ILE . 49.4 t30 -122.91 24.82 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 43.33 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -138.68 178.16 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.09 -30.54 5.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 54.43 110.85 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -52.4 -34.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.165 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 74.7 mmm -62.71 -40.32 96.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.55 -51.5 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 54.5 110.909 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -62.12 -45.4 93.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 71.32 110.877 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -59.43 -51.94 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 53.12 111.149 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -56.82 -48.99 76.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.51 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -61.66 -37.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.069 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.81 -35.62 78.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -75.0 -51.35 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 70.24 110.961 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -31.78 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.895 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.24 -43.24 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -62.31 -17.13 57.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.819 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.85 22.66 20.13 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 61.3 112.512 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 25' ' ' LEU . 25.7 mt -107.43 146.58 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 74.32 111.173 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.91 109.56 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.875 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.01 142.72 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.926 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 8' ' ' THR . 3.3 m -82.96 113.38 20.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 70.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -77.17 120.47 22.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -125.13 122.6 37.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.792 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.65 132.6 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.919 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CD1' HD23 ' A' ' 42' ' ' LEU . 20.2 m-85 -68.72 -45.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.917 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -74.12 -48.07 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -56.07 -46.7 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.32 -74.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.828 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 163.76 10.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 54.13 112.501 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -138.19 113.53 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 61.22 110.909 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.3 176.81 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 53.01 110.863 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.79 -32.82 74.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 54.41 111.14 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.48 -48.27 81.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -47.1 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.124 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.33 -50.43 74.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 72.53 110.884 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.06 -46.56 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 70.5 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -55.18 -43.86 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.867 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 105' ' ' LEU . 20.6 m-85 -73.42 -32.3 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.43 -37.24 84.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 70.24 110.929 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.94 -38.53 79.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.94 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -78.82 -26.75 44.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -147.19 133.32 9.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 51.22 111.125 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.2 Cg_endo -69.86 147.02 61.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 74.41 112.38 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.683 ' O ' HD23 ' A' ' 60' ' ' LEU . 64.9 p-90 -52.99 -38.57 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.21 -26.31 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.837 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -118.65 26.81 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 105' ' ' LEU . 10.0 tp -132.73 13.57 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 61.44 110.938 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.25 149.43 30.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.895 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.571 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.01 140.44 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.864 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -112.27 -55.34 2.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.63 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 40.23 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.48 161.85 16.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 64.14 112.429 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.2 p -57.72 -31.8 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 74.54 111.168 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.01 111.08 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -75.15 -34.86 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.02 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -81.48 -4.26 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -60.39 -19.59 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.117 HD22 HG11 ' A' ' 74' ' ' VAL . 13.6 mt -117.46 156.53 49.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 75.04 110.901 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.74 177.4 5.61 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 72.42 112.355 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.37 -35.62 79.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.76 -51.76 63.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.844 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.117 HG11 HD22 ' A' ' 70' ' ' LEU . 77.9 t -60.81 -55.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.3 111.126 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.646 ' NH2' HG21 ' A' ' 78' ' ' VAL . 19.2 mmm180 -58.12 -23.59 55.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 70.2 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -78.44 -16.63 57.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.827 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -93.2 17.3 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 63.33 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.646 HG21 ' NH2' ' A' ' 75' ' ' ARG . 85.3 t -81.23 136.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 61.22 111.134 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -137.5 -179.16 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.883 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -61.76 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 60.14 111.125 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.58 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -51.12 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.871 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.3 -49.95 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.126 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -62.51 -35.24 78.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.94 -40.34 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.39 -42.74 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 33.3 mmt -72.24 -34.05 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.897 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.3 tm? -67.36 -57.87 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.63 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.136 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -131.54 74.52 78.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.691 . . . . 74.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.72 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 71.34 112.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 p -60.1 -25.4 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 60.53 110.846 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.4 mtt -80.79 -19.32 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 91' ' ' PRO . 93.2 t -51.75 136.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 75.05 111.115 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -52.02 163.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.932 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -176.93 159.58 1.5 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 73.24 110.898 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 52.8 Cg_endo -69.81 147.09 84.04 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 -1.786 . . . . 63.23 112.277 0.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' HD12 ' A' ' 99' ' ' LEU . 94.2 t -101.74 135.58 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 75.11 111.136 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 98' ' ' VAL . 10.6 mp -117.44 125.16 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.936 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -111.03 124.19 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -140.96 112.14 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.895 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.23 28.04 10.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.03 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -42.6 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 31.54 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -60.3 129.09 39.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 41.15 110.851 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 59' ' ' LEU . 6.8 tp -103.87 140.23 37.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.918 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.4 mtp -132.18 156.84 45.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.854 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.33 145.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.18 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.43 175.55 7.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.53 155.84 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 74.21 110.925 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -51.73 160.72 1.01 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.492 0.663 . . . . 73.41 110.95 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.89 0.62 Allowed 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.664 2.243 . . . . 72.25 112.356 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.92 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -69.27 -48.8 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.54 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.21 -48.66 75.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.935 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.39 -46.72 82.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.54 84.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 72.23 111.085 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.31 90.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.947 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.85 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 99' ' ' LEU . 59.9 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.916 0.389 . . . . 54.24 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -108.53 124.11 49.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 55.12 111.239 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.0 tt -114.7 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -109.53 157.8 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.843 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.97 -160.18 23.0 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.494 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.04 176.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 72.24 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -80.67 -56.16 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.8 73.57 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.2 149.2 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 62.11 110.856 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.38 -32.71 8.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 54.43 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 m -53.8 -45.02 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.53 111.097 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 81.6 mmm -51.8 -38.93 57.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.88 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.77 -51.53 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.5 110.898 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -64.84 -42.29 95.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 71.32 110.854 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.38 92.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 53.12 111.106 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -65.51 -49.38 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 70.51 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -57.42 -37.33 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.45 111.196 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -68.5 -55.14 12.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.41 -40.35 86.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -69.71 -45.53 68.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.956 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.87 -45.02 82.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.845 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.87 -17.03 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.57 18.77 34.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.493 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -107.54 148.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 74.32 111.085 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -114.5 121.5 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.849 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.56 153.29 27.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.947 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.59 108.26 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 70.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -78.45 118.98 21.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 74.4 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -124.48 105.18 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.891 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.75 132.34 34.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 70.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.707 ' CD1' HD23 ' A' ' 42' ' ' LEU . 32.9 m-85 -71.39 -30.56 66.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.934 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -74.55 -59.01 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 74.3 110.902 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -54.18 -47.49 71.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.923 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.873 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.03 99.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.466 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -66.22 130.83 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 61.22 110.936 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.632 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -118.06 166.74 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.01 110.863 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.22 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.05 -50.75 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 65.44 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -62.1 -49.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 73.34 111.139 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -54.36 -49.65 69.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.978 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.52 -47.08 86.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.5 110.85 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -55.51 -44.47 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.816 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 105' ' ' LEU . 23.2 m-85 -73.17 -27.71 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.22 -37.85 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.943 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.74 -44.99 63.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.885 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.521 HG21 ' O ' ' A' ' 103' ' ' GLY . 17.7 p -72.5 -33.01 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 105' ' ' LEU . 59.0 t -137.94 133.35 17.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 51.22 111.144 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 74.41 112.386 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 44.9 p-90 -56.41 -24.82 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.14 -32.72 74.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 74.32 110.949 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.41 28.99 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 105' ' ' LEU . 19.6 tp -114.82 -17.27 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 61.44 110.942 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -127.75 148.4 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.921 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.73 143.96 11.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.868 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -38.63 5.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.94 -22.92 18.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 40.23 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.36 146.43 15.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.465 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -51.58 -33.63 33.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 74.54 111.132 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 m -53.06 -37.08 61.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 75.01 111.115 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -78.32 -34.59 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 75.02 110.857 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -80.76 -3.92 52.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.815 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -59.94 -20.62 58.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -111.95 157.65 39.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.629 0.728 . . . . 75.04 110.917 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.72 179.24 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 72.42 112.385 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -71.5 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 64.42 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -73.53 -51.86 15.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 71' ' ' PRO . 75.9 t -58.22 -55.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 71.3 111.161 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' HG12 ' A' ' 78' ' ' VAL . 18.3 mmm180 -58.23 -24.93 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -78.1 -19.7 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.911 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.16 24.1 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 63.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 75' ' ' ARG . 11.5 p -88.59 135.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.11 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -142.94 -171.84 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.01 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.14 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.12 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 55.31 111.106 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -48.83 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.856 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -49.09 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.1 111.061 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -63.78 -36.83 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.51 -43.96 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.01 -48.61 75.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.535 ' HB3' HD21 ' A' ' 47' ' ' LEU . 32.2 mmt -66.88 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.833 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.0 tt -66.45 -48.03 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -48.17 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.061 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -125.67 76.81 70.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 74.41 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.574 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.77 -7.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 71.34 112.357 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -66.27 -11.26 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.53 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -79.7 -19.19 49.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.906 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.5 m -56.51 158.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.124 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -69.51 166.55 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 64.41 110.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -165.48 156.67 12.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 73.24 110.849 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.81 160.74 87.66 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.736 -1.777 . . . . 63.23 112.337 0.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.1 128.96 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 75.11 111.132 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 100' ' ' GLU . 5.3 tt -116.89 139.06 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.928 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.5 tm-20 -119.06 143.05 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -172.06 124.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 62.76 36.98 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.521 ' O ' HG21 ' A' ' 53' ' ' THR . . . 66.35 17.4 66.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 31.54 112.53 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 41.15 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.2 tp -96.98 140.77 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.3 mtm -130.34 149.26 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.898 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.94 142.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.154 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 171.82 10.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 74.34 112.504 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.78 156.03 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 74.21 110.929 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -55.02 159.26 3.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 73.41 110.981 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 72.25 112.378 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.73 80.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -72.16 -48.86 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.952 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -56.06 -42.9 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.881 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.57 -50.48 36.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.12 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.75 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.23 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -81.39 -56.31 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.88 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.929 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 31' ' ' ASP . 10.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.908 0.385 . . . . 54.24 111.103 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 26.9 m -129.19 145.45 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 55.12 111.123 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 33' ' ' THR . 10.2 tt -115.15 137.98 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.092 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -110.13 133.87 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.0 -161.75 13.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.62 -0.8 . . . . 61.14 112.465 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 37' ' ' TYR . 38.9 pt -131.54 168.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 72.24 111.133 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -109.81 37.61 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -140.15 46.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 43.33 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.24 -178.43 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.11 110.877 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.16 -31.33 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 54.43 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -52.25 -42.4 63.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.53 111.073 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -38.63 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.34 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -56.8 -51.58 68.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 54.5 110.935 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.875 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -46.33 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 53.12 111.11 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -62.7 -49.28 75.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 70.51 110.847 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.42 -33.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.45 111.16 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -53.52 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.25 110.927 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -62.33 -35.53 79.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.939 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.65 -51.45 16.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.911 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -54.86 -45.77 74.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.41 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.64 -16.89 63.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.814 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 48.32 9.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.824 -0.703 . . . . 61.3 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 25' ' ' LEU . 74.6 mt -105.83 138.57 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 74.32 111.145 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 33.6 t70 -81.16 105.85 12.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.851 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.37 134.84 19.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.96 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 9' ' ' ILE . 3.1 m -89.24 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -90.21 124.51 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 8' ' ' THR . 0.3 OUTLIER -128.19 124.0 35.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.838 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.79 151.41 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 70.42 110.819 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.692 ' CD1' HG22 ' A' ' 12' ' ' ILE . 10.3 p90 -57.85 -33.03 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.95 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -87.04 -53.12 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.935 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -53.99 -47.39 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 74.4 110.875 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.75 -24.84 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 71.13 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.63 97.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 54.13 112.435 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -79.12 110.07 14.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 61.22 110.898 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -107.43 176.77 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 53.01 110.845 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -60.54 -42.68 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 54.41 111.171 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.93 -50.59 66.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 65.44 110.876 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.43 -50.8 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.159 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.28 -44.91 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.864 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -63.5 -50.1 70.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.863 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -55.26 -39.14 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.836 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.6 m-85 -72.98 -36.65 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.14 110.899 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -65.21 -37.32 86.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.909 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -67.9 -40.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.917 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -76.71 -30.9 56.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 72.44 111.118 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -142.24 133.33 12.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 51.22 111.146 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.3 Cg_endo -69.81 146.93 61.4 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.77 2.313 . . . . 74.41 112.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -54.8 -28.58 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.954 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.64 -32.39 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.87 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -122.31 29.01 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.93 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 54' ' ' VAL . 6.5 tp -121.34 -40.68 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.901 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -99.1 146.19 26.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.44 110.888 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.67 144.3 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.874 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.63 -44.57 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.832 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.68 -21.76 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 40.23 111.096 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.19 176.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 64.14 112.478 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 p -80.46 -35.66 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 74.54 111.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 p -53.13 -46.73 68.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.01 111.144 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -73.69 -35.01 65.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 75.02 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -63.86 -18.49 64.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 73.52 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -60.92 -52.58 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.844 HD22 HG11 ' A' ' 74' ' ' VAL . 41.8 mt -61.65 156.21 55.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 75.04 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.84 179.12 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.605 2.203 . . . . 72.42 112.374 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -71.35 -31.31 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 64.42 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.44 -51.59 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.821 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.844 HG11 HD22 ' A' ' 70' ' ' LEU . 94.2 t -66.63 -40.72 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.3 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.42 -29.03 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.0 -18.02 19.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.869 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -92.94 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 63.33 110.854 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.76 131.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.118 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -120.02 178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.874 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.98 -59.84 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 60.14 111.066 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -57.25 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 55.31 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -49.91 67.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.853 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.44 60.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 62.1 111.082 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.2 -42.94 92.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.61 -47.59 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.885 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.91 -53.62 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.32 -32.62 74.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.819 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 44' ' ' ALA . 9.9 tt -61.39 -53.92 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 -48.22 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.105 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -122.58 79.18 47.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 74.41 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 71.34 112.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 p -58.45 -20.74 47.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 60.53 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 mtp -80.35 -19.26 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.33 110.937 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 143.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.05 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -51.15 162.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.927 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.531 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 3.0 ptt-85 -174.71 155.82 2.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 73.24 110.825 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.5 Cg_endo -69.83 154.51 93.49 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 -1.806 . . . . 63.23 112.296 0.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.706 HG22 ' HD2' ' A' ' 95' ' ' LYS . 95.2 t -114.99 126.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.086 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -112.34 119.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.2 110.889 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.94 114.28 28.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.962 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -122.04 111.21 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.82 33.34 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.03 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.25 -41.41 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 31.54 112.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -60.74 133.88 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 41.15 110.854 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 50' ' ' PHE . 6.7 tp -99.54 134.03 43.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.948 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.02 141.83 49.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.852 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.671 HG12 ' HD3' ' A' ' 95' ' ' LYS . 22.6 m -92.17 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.01 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.77 164.72 26.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 74.34 112.496 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -143.0 155.63 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 74.21 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -52.33 160.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 73.41 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 72.25 112.326 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.095 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -69.45 -49.8 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.54 110.962 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.36 -40.27 67.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.933 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.58 -50.24 39.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 54.12 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.79 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -82.44 -39.92 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.91 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.907 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.909 0.385 . . . . 54.24 111.175 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.41 HG23 ' HB ' ' A' ' 33' ' ' THR . 19.7 m -108.95 126.06 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 55.12 111.125 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tt -114.86 137.8 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 62.44 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -113.13 149.67 33.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.17 -162.29 25.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 61.14 112.445 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 pt -144.47 144.17 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 72.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -74.82 -11.08 60.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.937 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.19 39.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 43.33 110.897 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.0 t -157.08 121.76 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 62.11 110.879 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.846 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -51.8 -42.69 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.151 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.885 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 23' ' ' ILE . 19.9 ttmt -52.77 -51.21 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 54.5 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -53.72 -50.46 65.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.954 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -51.99 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 53.12 111.119 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.47 -49.14 78.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.851 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 19' ' ' LYS . 25.5 mt -58.46 -34.32 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.45 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -69.29 -50.1 49.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.75 -46.89 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.866 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.86 -36.11 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.3 -45.47 94.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -66.5 -16.98 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 25.15 14.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 61.3 112.535 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.2 mt -107.11 149.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.875 0.369 . . . . 74.32 111.137 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.91 110.52 21.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.842 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -115.23 152.21 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.01 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.41 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -82.58 108.2 15.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 70.0 111.11 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.11 118.04 19.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -123.68 116.06 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.865 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.53 132.95 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 70.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.521 ' HD1' HD23 ' A' ' 42' ' ' LEU . 13.1 m-85 -71.31 -34.87 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.89 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -50.36 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -54.19 -47.46 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.905 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.85 -25.89 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.9 111.16 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 54.13 112.518 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.88 112.47 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 61.22 110.875 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -104.32 176.5 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 53.01 110.877 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.44 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.41 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.6 -48.42 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.44 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -47.91 67.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -57.68 -50.72 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.858 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.09 -50.12 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 70.5 110.841 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -55.09 -44.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.874 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.65 -30.89 67.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.927 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -67.78 -40.87 83.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 70.24 110.856 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -67.86 -49.42 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 p -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 72.44 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -143.45 133.32 11.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 51.22 111.06 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.4 Cg_endo -69.75 140.74 43.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 74.41 112.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HB3' HD21 ' A' ' 51' ' ' LEU . 58.6 p-90 -55.44 -27.4 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 72.32 110.917 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.82 -26.72 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.913 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -121.93 29.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.3 tp -131.34 4.02 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 61' ' ' ASN . 2.0 pp -148.07 130.47 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.634 ' O ' HD12 ' A' ' 60' ' ' LEU . 7.5 p-10 -51.05 143.96 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.911 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -29.85 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.87 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.55 29.75 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 40.23 111.175 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.488 ' HA3' HD21 ' A' ' 61' ' ' ASN . . . -115.97 168.55 12.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.704 -0.76 . . . . 64.14 112.46 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -53.0 -31.49 41.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 74.54 111.1 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -52.79 -51.31 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 75.01 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -66.55 -34.43 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -76.54 -6.26 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.9 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -64.18 -52.74 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -84.45 158.91 59.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.708 . . . . 75.04 110.924 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.84 179.58 3.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 72.42 112.337 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.39 -27.21 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.895 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.8 -51.86 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.834 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 71' ' ' PRO . 76.1 t -59.8 -47.93 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 71.3 111.101 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -66.4 -22.8 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -78.07 -22.81 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -94.95 22.07 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.13 130.57 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.144 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -142.04 -174.56 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.72 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.099 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.35 -58.22 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 55.31 111.136 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -45.15 71.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 73.02 110.906 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -53.76 -49.08 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 62.1 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -61.78 -45.19 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.09 -42.64 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 75.34 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.3 mt -61.54 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 74.11 110.912 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 47' ' ' LEU . 31.7 mmt -61.41 -32.73 72.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.868 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.53 -48.46 72.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 71.42 110.901 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.17 -48.2 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.1 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.42 78.63 54.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 74.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.87 -7.75 21.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 71.34 112.322 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -63.94 -15.42 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.53 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.87 -19.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 71.33 110.926 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 91' ' ' PRO . 90.4 t -55.35 133.78 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.05 111.093 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.661 ' HD3' HG13 ' A' ' 107' ' ' VAL . 18.9 ptpt -56.66 158.62 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.903 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.2 ptp85 -169.97 159.38 6.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 73.24 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.66 161.22 86.33 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.743 -1.774 . . . . 63.23 112.412 -0.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.643 HG11 HD21 ' A' ' 105' ' ' LEU . 63.2 t -123.48 143.48 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.08 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mp -121.8 143.61 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -121.1 144.62 48.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 64.22 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -171.25 119.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.93 32.88 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.867 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.22 -45.08 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 31.54 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.84 130.45 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 41.15 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.643 HD21 HG11 ' A' ' 98' ' ' VAL . 7.4 tp -98.17 150.85 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 75.31 110.938 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 ttm -124.79 143.31 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.903 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.661 HG13 ' HD3' ' A' ' 95' ' ' LYS . 41.2 t -92.09 135.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.01 111.168 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.45 171.01 11.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 74.34 112.487 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -145.56 153.71 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 74.21 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -52.65 161.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 73.41 110.955 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 -48.46 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 72.25 112.355 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.77 92.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.11 -48.83 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 63.54 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.56 -47.09 76.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.997 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -47.49 78.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 54.12 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.82 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 72.23 111.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -29.95 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.856 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.928 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 32' ' ' TYR . 14.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.955 0.407 . . . . 54.24 111.088 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.5 m -115.79 134.62 54.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 55.12 111.059 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 33' ' ' THR . 11.2 tt -114.62 137.72 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.168 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -111.52 133.75 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 60.44 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.89 -163.67 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 61.14 112.552 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 pt -136.46 176.59 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 72.24 111.125 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -93.58 -25.67 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.927 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -86.07 55.07 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 43.33 110.913 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -157.13 138.08 13.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.821 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -35.64 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 54.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -43.28 61.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.108 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mmm -51.7 -47.11 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.862 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -50.86 -51.63 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 54.5 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -61.09 -40.01 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.915 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.6 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 53.12 111.087 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.09 86.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.51 110.883 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -56.35 -38.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.11 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -69.43 -55.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.21 -42.26 81.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 70.24 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.23 -46.89 78.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -59.02 -38.59 79.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -71.91 -16.95 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.849 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 31.39 23.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 61.3 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mt -107.48 149.17 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.32 111.122 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.43 132.74 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.877 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.542 ' CE1' HG11 ' A' ' 7' ' ' VAL . 4.2 m-85 -139.83 137.98 35.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 70.01 110.885 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -83.3 110.08 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.13 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.84 117.09 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.852 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.51 123.51 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.22 132.35 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -57.03 -40.56 76.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.969 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -50.44 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.876 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -54.58 -47.31 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.873 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.42 -51.69 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.86 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 117.23 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.499 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.71 125.65 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 61.22 110.962 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.0 177.08 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 53.01 110.906 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.38 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.068 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -51.31 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 65.44 110.913 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -58.73 -50.09 75.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.161 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.35 -54.74 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.927 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.55 -47.68 69.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 70.5 110.884 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -56.86 -42.65 80.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.873 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -71.27 -27.55 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.951 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -59.1 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 70.24 110.924 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -55.14 -30.11 59.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.6 m -84.4 -32.54 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.44 111.149 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.4 t -147.85 133.27 9.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 51.22 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.8 Cg_endo -69.73 139.14 39.6 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.742 2.295 . . . . 74.41 112.413 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -54.89 -26.64 37.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 72.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.88 -32.62 66.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.45 27.57 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 73.33 110.867 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' HB ' ' A' ' 54' ' ' VAL . 5.4 tp -115.59 -30.04 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -117.12 148.63 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.942 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.97 142.05 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 71.33 110.905 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -106.64 -28.51 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.84 29.62 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.062 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.34 158.4 18.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.446 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -60.01 -31.84 70.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 74.54 111.144 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.7 p -53.69 -48.3 69.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.17 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -68.59 -36.76 79.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.93 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -77.29 -4.6 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.92 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.73 -36.63 79.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.082 HD22 HG11 ' A' ' 74' ' ' VAL . 12.9 mt -99.63 156.54 35.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 75.04 110.869 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.72 -177.65 1.96 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 72.42 112.352 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.4 -38.75 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 64.42 110.852 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -51.59 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.082 HG11 HD22 ' A' ' 70' ' ' LEU . 95.6 t -64.72 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -69.89 -25.41 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.0 t -77.97 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.3 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.67 26.01 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.79 132.34 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 61.22 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.99 179.83 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.81 66.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 60.14 111.101 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -58.34 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 55.31 111.114 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -54.01 -50.36 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.837 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.48 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 62.1 111.069 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -56.61 -44.61 81.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.12 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.14 -43.91 78.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.805 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.21 -36.49 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.835 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.73 -58.22 9.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.901 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.12 59.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.31 111.099 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -114.31 73.74 2.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 74.41 110.928 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.573 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.75 -14.59 36.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 71.34 112.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.7 p -66.89 -11.06 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.1 mtp -80.14 -15.3 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.871 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.8 m -60.99 165.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.05 111.084 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -78.6 165.08 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.847 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -174.61 154.94 1.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.643 0.735 . . . . 73.24 110.886 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.5 Cg_endo -69.76 157.02 92.5 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 -1.801 . . . . 63.23 112.39 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.447 HG11 HD11 ' A' ' 105' ' ' LEU . 97.0 t -120.81 135.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.51 124.19 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 64.2 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -108.22 130.33 55.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.988 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -160.48 116.39 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.49 49.87 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.808 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 60.84 21.81 59.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 31.54 112.53 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -113.14 124.57 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 41.15 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.447 HD11 HG11 ' A' ' 98' ' ' VAL . 5.2 tp -100.73 126.81 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.897 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttm -121.26 140.17 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.891 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.3 142.15 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 75.01 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.47 169.55 14.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 74.34 112.5 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -141.78 155.06 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 74.21 110.889 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -53.98 160.69 2.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.514 0.673 . . . . 73.41 110.917 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.59 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.612 2.208 . . . . 72.25 112.412 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.34 82.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.15 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -70.66 -47.66 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 63.54 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.48 -42.43 78.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.906 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.64 -46.8 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.78 -48.25 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.038 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -47.22 71.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 72.22 110.948 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 18.5 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.894 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.896 0.379 . . . . 54.24 111.153 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.5 m -106.51 127.46 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 55.12 111.082 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.81 137.57 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 62.44 111.131 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.9 157.97 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 60.44 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.06 -161.58 25.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.441 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 pt -140.65 176.57 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 72.24 111.091 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -80.58 -54.82 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -74.56 74.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -157.07 157.36 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.842 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.39 -29.17 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 54.43 110.852 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -43.09 97.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.081 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 82.5 mmm -51.93 -36.41 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.807 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -61.48 -51.39 68.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 54.5 110.813 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -60.19 -46.88 88.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.62 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 53.12 111.052 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.98 -48.97 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.51 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.5 -37.04 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 74.45 111.092 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -66.72 -55.9 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.4 mm? -59.85 -41.55 91.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 70.24 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.99 -41.2 82.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.08 -45.92 92.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.74 -17.06 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.827 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.29 16.29 27.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 61.3 112.478 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.35 148.35 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 111.129 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.26 124.23 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.933 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.6 156.4 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.896 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.47 107.15 17.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 70.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.14 116.49 17.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.829 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.12 123.77 40.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.35 126.63 46.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CD1' HD23 ' A' ' 42' ' ' LEU . 35.9 m-85 -60.13 -37.4 79.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.947 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -74.29 -58.14 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -54.33 -47.44 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.894 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -68.85 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.13 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.47 98.25 1.27 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.855 -0.688 . . . . 54.13 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -80.53 126.85 31.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 61.22 110.958 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.55 ' N ' HD13 ' A' ' 42' ' ' LEU . 15.9 t0 -118.3 176.19 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 53.01 110.898 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -61.0 -46.89 88.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 54.41 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.98 -48.54 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 65.44 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.667 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.1 -51.35 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.113 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.6 OUTLIER -53.29 -51.34 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.961 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.82 -49.41 77.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.5 110.823 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -59.42 -30.59 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.52 110.899 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.9 m-85 -73.29 -48.61 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -64.02 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.24 110.865 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -66.17 -24.42 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.892 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 103' ' ' GLY . 18.1 m -96.16 -32.43 12.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.11 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 59' ' ' LEU . 57.5 t -133.55 133.34 22.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 51.22 111.13 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.73 137.1 34.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.731 2.287 . . . . 74.41 112.386 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 51' ' ' LEU . 63.7 p-90 -52.47 -29.57 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.968 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -56.25 -34.24 66.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.85 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -123.06 28.82 7.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 73.33 110.889 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 54' ' ' VAL . 2.3 tt -114.25 -24.73 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.933 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 61' ' ' ASN . 3.0 pp -116.62 149.76 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.951 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.57 143.82 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.936 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -45.67 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.94 29.56 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 40.23 111.106 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.62 148.08 18.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.493 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -51.56 -31.74 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 74.54 111.199 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.198 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.12 -34.57 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -76.34 -5.32 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.59 -28.32 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.87 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.546 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -91.31 159.0 40.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 75.04 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.84 178.94 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.641 2.228 . . . . 72.42 112.43 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -71.23 -30.13 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 64.42 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.23 -46.53 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.843 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 HD12 ' A' ' 70' ' ' LEU . 83.7 t -72.37 -37.0 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 71.3 111.123 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -69.76 -25.44 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -96.2 -24.85 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.906 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -97.0 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 63.33 110.872 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.43 130.95 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.168 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -178.97 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.864 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.96 -56.89 11.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 60.14 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.33 -56.6 12.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.083 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -47.59 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.819 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.46 -54.36 27.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.1 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -57.35 -46.92 82.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.798 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.96 -44.86 91.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.15 -54.32 48.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.585 ' HB3' HD21 ' A' ' 47' ' ' LEU . 30.2 mmt -59.09 -32.79 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 72.4 110.876 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.1 tp -65.83 -48.09 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.41 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.111 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 82.16 54.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.75 -5.35 16.0 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.726 2.284 . . . . 71.34 112.33 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -63.93 -14.18 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.814 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -17.77 53.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.899 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 91' ' ' PRO . 85.3 t -55.6 138.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.125 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -51.53 168.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -172.88 154.98 2.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.723 . . . . 73.24 110.889 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.1 Cg_endo -69.73 164.91 77.93 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 -1.798 . . . . 63.23 112.373 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.43 132.18 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.172 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -116.05 130.34 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -105.01 135.44 46.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 64.22 110.891 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -160.97 125.64 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.866 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t70 55.78 27.8 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' HG21 ' A' ' 53' ' ' THR . . . 80.04 18.07 73.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.804 -0.713 . . . . 31.54 112.572 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -119.41 139.7 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 41.15 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.84 144.11 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.975 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 57.2 tpp -131.34 143.98 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.08 137.56 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.01 111.167 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.46 171.1 11.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 74.34 112.446 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -135.27 155.99 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 74.21 110.887 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -52.98 160.46 1.5 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.541 0.686 . . . . 73.41 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 72.25 112.331 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.23 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.34 -47.66 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 63.54 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.8 -42.78 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.944 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.42 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 54.12 110.879 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.02 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.043 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -81.47 -39.85 24.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 73.25 110.89 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 96.5 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.94 0.4 . . . . 54.24 111.096 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -108.12 127.37 53.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 55.12 111.188 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -114.71 137.48 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 62.44 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.07 139.22 47.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 60.44 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.94 -166.77 16.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 61.14 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.67 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.3 pt -130.16 176.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 72.24 111.131 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -95.88 -25.45 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.899 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.4 59.13 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 43.33 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 12' ' ' ILE . 9.9 t -155.49 156.46 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.11 110.895 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -32.85 6.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 54.43 110.88 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -51.82 -29.77 20.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.152 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 mtp -55.49 -45.16 77.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 54.5 110.947 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -62.66 -45.55 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.905 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -47.64 81.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 53.12 111.084 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.79 -49.08 77.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 70.51 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mt -58.11 -36.41 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.45 111.061 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.9 -55.63 12.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.894 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.13 -43.25 95.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 70.24 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -43.27 90.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.83 -43.58 98.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.954 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -65.67 -16.94 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.795 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.82 12.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 61.3 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.33 142.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.32 111.15 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -91.38 107.93 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.825 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.626 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.96 130.1 56.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 70.01 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -85.49 114.39 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 70.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.16 117.66 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.913 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.04 123.05 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.07 140.89 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.67 ' CD1' HG22 ' A' ' 12' ' ' ILE . 30.4 p90 -51.73 -32.91 32.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.989 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -85.68 -46.37 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.3 110.874 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -54.11 -47.44 71.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 74.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.44 -25.22 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.883 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 97.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 54.13 112.442 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.94 110.16 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 61.22 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.48 176.37 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.914 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -55.65 -42.71 75.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 54.41 111.02 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.08 -51.41 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 65.44 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.01 -51.28 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 73.34 111.147 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.5 OUTLIER -54.8 -46.47 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.91 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -59.71 -51.9 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -56.99 -37.09 71.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CD1' HD22 ' A' ' 105' ' ' LEU . 18.1 m-85 -73.38 -31.61 64.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -52.56 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -58.15 -26.88 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.917 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 m -88.33 -30.35 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.207 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.7 t -148.59 133.24 8.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 51.22 111.149 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.433 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.76 139.16 39.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 74.41 112.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -52.8 -29.71 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.907 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.25 -32.52 48.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.885 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -120.64 25.69 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 54' ' ' VAL . 7.3 tp -116.99 -28.2 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 61.44 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -116.45 149.52 39.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.907 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.04 143.07 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.887 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -106.45 -56.61 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.907 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.68 25.88 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 40.23 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.39 162.42 26.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 64.14 112.433 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.8 p -64.77 -34.13 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 74.54 111.132 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -41.41 65.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.01 111.169 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.07 -35.36 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -73.65 -12.7 60.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.98 72.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 74' ' ' VAL . 7.8 mp -86.08 157.91 56.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 75.04 110.891 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 179.38 3.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.649 2.232 . . . . 72.42 112.327 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.36 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.9 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.41 -51.69 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.846 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.724 HG12 HD23 ' A' ' 70' ' ' LEU . 76.5 t -65.64 -30.61 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.072 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -74.79 -25.55 59.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -94.17 -24.99 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.3 110.881 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.13 36.57 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 63.33 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 ' OG ' ' A' ' 82' ' ' SER . 11.5 p -101.36 130.62 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 61.22 111.177 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.33 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.21 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.14 111.126 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.74 -58.38 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 55.31 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.82 -52.1 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.863 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.18 -50.62 58.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 62.1 111.084 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -60.79 -35.43 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.29 -44.04 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 82' ' ' SER . 4.2 mm? -61.41 -45.7 93.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.928 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.514 ' CB ' HD21 ' A' ' 47' ' ' LEU . 36.7 mmt -72.48 -32.97 66.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.894 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 44' ' ' ALA . 7.4 tt -62.11 -58.43 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.92 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.453 ' N ' HD23 ' A' ' 88' ' ' LEU . . . -75.05 -46.09 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 72.31 111.043 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.39 75.92 2.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 74.41 110.893 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.83 -8.29 23.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 71.34 112.354 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 t -63.49 -16.39 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 60.53 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -19.41 46.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.943 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 91' ' ' PRO . 42.5 t -60.46 148.92 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.05 111.116 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -67.99 122.33 17.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.52 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 7.7 mmm180 -123.36 157.39 61.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 73.24 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.74 176.68 31.55 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.793 . . . . 63.23 112.378 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.427 HG13 ' HG ' ' A' ' 105' ' ' LEU . 95.2 t -129.28 134.7 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.66 121.75 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.2 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.82 123.48 50.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -171.67 141.6 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.762 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 53.76 35.86 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.877 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.0 17.11 50.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 31.54 112.45 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -119.66 125.62 49.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.344 . . . . 41.15 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.0 tp -96.7 135.81 38.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.969 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.4 tpp -126.78 145.66 50.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.87 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.93 140.29 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.091 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.4 131.57 44.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.491 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.96 156.12 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 74.21 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -51.9 159.09 1.47 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.581 0.705 . . . . 73.41 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -48.63 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.628 2.219 . . . . 72.25 112.39 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.38 78.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.114 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.87 -48.04 40.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.38 -43.29 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.929 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.56 -50.49 36.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 54.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.24 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.177 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.68 -38.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.956 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.856 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 52.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.899 0.381 . . . . 54.24 111.106 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' HB ' ' A' ' 33' ' ' THR . 94.7 m -120.4 135.03 55.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 55.12 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.78 137.48 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 62.44 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -113.35 143.88 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 60.44 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.27 12.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 61.14 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.761 HG22 ' CD1' ' A' ' 37' ' ' TYR . 41.8 pt -129.04 176.29 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 72.24 111.14 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.44 31.42 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.928 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.43 25.92 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 43.33 110.865 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.9 p -127.04 -174.04 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.905 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.16 -31.44 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 54.43 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -55.06 -54.59 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 64.53 111.142 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mmm -51.93 -40.44 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -56.12 -51.52 67.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 54.5 110.89 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -61.2 -46.79 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 53.12 111.059 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.95 -48.94 78.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 70.51 110.945 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.36 -35.98 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.76 -55.9 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.93 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 30' ' ' ILE . 4.5 mm? -58.56 -46.09 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.922 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.81 -49.35 75.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.925 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.22 -46.12 72.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.918 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.57 -16.98 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.04 41.74 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 61.3 112.506 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 25' ' ' LEU . 21.6 mm -104.09 152.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 74.32 111.111 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.57 96.4 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.874 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.55 130.86 56.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.863 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.583 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.6 OUTLIER -87.56 118.79 27.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 70.0 111.138 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -77.05 111.19 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.847 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.99 114.34 22.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.817 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.05 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.42 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.5 p90 -51.93 -32.35 32.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.924 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.96 -47.05 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -54.18 -46.71 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 74.4 110.89 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -82.88 -51.25 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.6 171.26 25.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 54.13 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -141.23 134.0 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 61.22 110.869 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HD13 ' A' ' 42' ' ' LEU . 4.9 m-20 -124.75 162.34 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 53.01 110.918 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.02 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.135 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.86 -51.21 70.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.617 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -65.3 -51.23 62.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 73.34 111.126 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.67 -50.06 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.883 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.03 -52.54 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.5 110.833 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.9 -32.13 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.89 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.691 ' CE1' HD22 ' A' ' 105' ' ' LEU . 4.1 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.853 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.83 -38.79 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 70.24 110.845 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.46 -50.57 36.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.932 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -67.66 -27.22 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -148.5 133.33 9.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 51.22 111.066 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.71 144.27 53.74 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.68 2.254 . . . . 74.41 112.336 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -52.6 -30.78 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.96 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.7 -31.7 48.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -119.69 26.37 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 73.33 110.966 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.66 -21.86 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 61.44 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.1 pp -123.23 147.82 46.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.933 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.625 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -51.0 143.98 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.852 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -36.34 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.854 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.96 -23.18 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 40.23 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.87 150.22 9.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 64.14 112.525 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.0 p -52.64 -32.55 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 74.54 111.163 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -39.03 62.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.159 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -77.87 -35.65 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.74 -4.38 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.836 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 70' ' ' LEU . 24.6 tttp -60.19 -23.33 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.931 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 74' ' ' VAL . 6.1 mp -119.35 155.6 53.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 75.04 110.978 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.71 155.78 65.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 72.42 112.363 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.4 -32.29 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.44 -51.63 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.851 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 70' ' ' LEU . 55.6 t -67.7 -30.71 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.167 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 78' ' ' VAL . 19.3 mmm180 -73.82 -35.62 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.2 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -66.05 -14.64 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.905 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -78.68 -15.23 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 63.33 110.943 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 75' ' ' ARG . 12.2 p -51.86 134.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -141.41 -179.02 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.02 110.799 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.53 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 60.14 111.109 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.57 -53.55 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.12 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -53.85 -51.09 64.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.8 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.44 -53.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.1 111.131 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -54.41 -46.53 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.896 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.5 mt -59.09 -50.02 75.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.943 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.708 ' HB2' HD21 ' A' ' 47' ' ' LEU . 35.1 mmt -66.53 -32.61 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.949 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.27 -48.42 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.31 111.135 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.32 78.73 67.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 74.41 110.839 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.76 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 71.34 112.347 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.681 ' OG ' HG21 ' A' ' 12' ' ' ILE . 6.5 t -66.64 -11.04 51.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 60.53 110.868 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -16.06 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 71.33 110.853 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 91' ' ' PRO . 23.8 m -56.67 165.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.05 111.094 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.647 ' HD3' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -65.46 173.9 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 64.41 110.901 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 9.3 ptt85 -179.74 159.31 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 73.24 110.811 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.76 140.6 61.53 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 63.23 112.326 -0.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 95' ' ' LYS . 84.9 t -95.39 126.77 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.126 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.43 122.65 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.2 110.938 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.663 ' HG3' HD12 ' A' ' 105' ' ' LEU . 3.4 tt0 -107.51 143.14 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.832 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -150.31 110.33 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 74.21 110.867 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t0 59.45 28.01 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.869 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.04 -37.42 3.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.466 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -65.99 132.88 49.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 41.15 110.862 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -103.9 141.09 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.959 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.8 ttm -134.8 153.59 51.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.848 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.639 HG12 ' HG3' ' A' ' 95' ' ' LYS . 19.9 m -91.75 135.36 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.197 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 178.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -141.2 155.79 46.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.984 0.421 . . . . 74.21 110.885 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.47 159.21 1.71 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.628 0.727 . . . . 73.41 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 72.25 112.36 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 74.33 111.12 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -70.25 -48.2 57.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.54 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.51 -42.67 74.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.48 -46.82 63.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.35 89.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.104 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -35.96 67.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.899 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.968 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.858 0.361 . . . . 54.24 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.77 138.65 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 55.12 111.194 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 33' ' ' THR . 10.5 tt -114.71 138.54 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.44 111.066 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.0 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 60.44 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.55 -155.48 7.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.449 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 pt -137.18 176.47 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 72.24 111.186 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -92.14 -25.62 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.893 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -99.35 68.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 43.33 110.872 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 t -156.95 112.39 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 62.11 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -46.12 87.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 54.43 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -51.54 -44.81 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.53 111.154 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.5 mmm -52.94 -45.21 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.818 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -51.79 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -59.82 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.92 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -58.96 -47.99 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.096 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -49.09 79.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.852 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.73 -34.67 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.45 111.136 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -41.15 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -70.08 -50.44 40.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.969 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.4 -35.48 79.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -69.03 -46.77 67.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -66.22 -16.01 63.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 71.45 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.64 41.22 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 61.3 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 25' ' ' LEU . 86.1 mt -102.87 139.33 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 74.32 111.159 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -81.12 130.23 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.882 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -173.29 135.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.939 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 9' ' ' ILE . 94.9 m -91.5 135.12 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -83.05 110.1 17.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.829 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -116.71 123.71 47.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.927 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.06 149.16 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 70.42 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.542 ' HD1' HD23 ' A' ' 42' ' ' LEU . 14.6 m-85 -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -77.13 -49.53 15.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -47.53 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.857 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -81.38 -26.01 35.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.49 139.29 9.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 54.13 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -123.19 117.57 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.333 . . . . 61.22 110.899 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 165.92 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 53.01 110.892 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 88' ' ' LEU . . . -52.58 -41.51 63.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 54.41 111.065 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.52 -50.62 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.44 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.52 -48.86 73.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.179 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -50.29 68.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 72.53 110.869 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.9 -43.93 97.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 70.5 110.874 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -55.13 -46.57 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.918 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 105' ' ' LEU . 29.8 m-85 -72.43 -31.66 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.863 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.24 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.877 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -68.58 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.879 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 m -80.18 -27.42 38.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.148 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.613 ' HB ' HD13 ' A' ' 59' ' ' LEU . 59.7 t -145.55 133.23 10.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 51.22 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.3 Cg_endo -69.68 146.06 59.53 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.736 2.291 . . . . 74.41 112.411 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.668 ' O ' HD23 ' A' ' 60' ' ' LEU . 58.5 p-90 -52.33 -42.1 63.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.877 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -52.0 -30.1 23.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -117.66 26.79 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD13 ' HB ' ' A' ' 54' ' ' VAL . 12.2 tp -132.89 13.46 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 61.44 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.34 147.05 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.874 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.75 141.75 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.929 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 -47.17 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.825 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.97 -19.41 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 40.23 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.41 152.93 6.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 64.14 112.46 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -58.83 -31.86 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 74.54 111.12 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -48.74 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.01 111.159 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -70.04 -34.71 73.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.877 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -76.93 -5.11 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 73.52 110.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.91 -39.37 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -91.9 158.91 39.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 75.04 110.893 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 72.42 112.337 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -71.49 -34.26 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 64.42 110.79 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -66.32 -51.69 54.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.851 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 71' ' ' PRO . 77.0 t -61.67 -35.96 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 71.3 111.136 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -78.31 -24.73 46.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 70.2 110.846 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.9 t -86.65 -24.06 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.815 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.51 24.65 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.8 t -82.8 135.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 61.22 111.109 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.54 178.32 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.873 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 60.14 111.096 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.09 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 55.31 111.125 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -40.85 68.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.852 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 62.1 111.053 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -41.47 96.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.914 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.34 -46.7 75.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.951 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.15 -48.83 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.86 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.5 tt -64.83 -58.09 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 71.42 110.955 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -25.49 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 72.31 111.116 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -133.26 74.04 73.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 74.41 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 71.34 112.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p -58.56 -22.4 55.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 60.53 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -19.38 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.925 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.01 139.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.05 111.114 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 159.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 64.41 110.89 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -173.67 154.34 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.24 110.855 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.0 Cg_endo -69.7 166.17 74.58 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 63.23 112.345 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -129.15 128.53 67.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.075 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -111.86 119.9 40.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 64.2 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.58 138.11 39.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.926 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -174.85 141.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.886 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.01 36.76 27.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.813 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.55 16.04 54.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 31.54 112.53 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -119.67 138.91 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 41.15 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 50' ' ' PHE . 10.2 tp -97.63 130.1 44.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.941 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 38.5 tpp -113.29 142.95 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.5 m -91.65 139.7 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.01 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.35 129.96 40.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.497 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.51 142.0 28.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 74.21 110.862 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.48 159.25 1.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 73.41 110.865 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.591 2.194 . . . . 72.25 112.343 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.78 79.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.1 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.62 -48.64 37.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.918 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.67 -43.32 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.906 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.35 -50.66 36.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.75 66.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.106 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -81.07 -44.76 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 73.25 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.369 . . . . 54.24 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.21 136.57 49.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.064 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' THR . 11.0 tt -114.81 139.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.106 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.63 120.56 41.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 60.44 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.74 -167.79 15.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 61.14 112.488 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -123.75 176.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 72.24 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -96.95 -25.91 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.881 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.98 63.73 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.901 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HB2' HD11 ' A' ' 12' ' ' ILE . 46.2 t -157.0 145.28 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.881 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.04 -40.0 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.836 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -51.65 -40.32 59.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 64.53 111.134 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -32.56 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 72.34 110.835 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.71 -51.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 54.5 110.953 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -60.77 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.831 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.47 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 53.12 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -63.14 -49.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 70.51 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mt -58.47 -36.51 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.45 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.17 -51.02 50.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.92 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.9 mm? -57.45 -48.7 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 70.24 110.925 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -66.78 -34.73 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.967 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.1 -45.75 92.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.919 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.565 ' ND1' HD11 ' A' ' 30' ' ' ILE . 15.7 t-160 -76.4 -16.8 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 71.45 110.824 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 48.75 6.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 61.3 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.565 HD11 ' ND1' ' A' ' 28' ' ' HIS . 50.0 mm -94.75 144.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 74.32 111.133 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.93 102.04 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.845 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.74 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.01 110.88 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 9' ' ' ILE . 27.9 m -96.91 138.04 35.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 70.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -86.2 115.56 23.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 123.83 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.848 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.73 146.03 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CD1' HG22 ' A' ' 12' ' ' ILE . 20.8 p90 -51.95 -33.92 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.904 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -86.48 -46.44 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.939 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -54.34 -29.46 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.888 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.47 -26.66 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.818 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.47 98.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.463 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -83.88 111.21 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 61.22 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.01 177.29 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 53.01 110.888 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.52 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.106 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.5 -51.11 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.932 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -58.51 -49.2 78.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 73.34 111.178 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.61 -45.16 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.93 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.49 -51.19 69.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.873 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -57.62 -36.31 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.916 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 46' ' ' THR . 7.7 m-85 -73.33 -34.76 65.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.4 -40.74 81.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.89 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -69.27 -47.96 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 72.22 110.906 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 m -68.32 -32.5 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.128 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -142.73 133.28 12.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 51.22 111.148 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.76 141.02 44.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.764 2.309 . . . . 74.41 112.355 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -55.28 -27.49 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.24 -33.66 67.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -116.76 26.0 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 tp -117.66 -30.15 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.44 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.4 pp -120.2 136.99 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.44 110.888 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.18 144.51 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.88 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -47.81 2.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.854 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.42 26.74 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 40.23 111.055 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.86 152.94 17.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 64.14 112.445 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -52.05 -32.37 34.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.906 0.384 . . . . 74.54 111.084 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -51.25 62.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 75.01 111.168 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -72.44 -34.86 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -67.02 -14.62 63.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.76 -25.29 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.745 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -81.62 158.27 68.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 75.04 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 176.31 6.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 72.42 112.391 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.58 -38.21 80.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.2 -51.63 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.745 HG12 HD23 ' A' ' 70' ' ' LEU . 74.9 t -67.05 -30.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.132 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -69.92 -26.22 64.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -98.91 -22.9 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -93.65 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -92.52 131.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.15 -172.0 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.815 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.42 4.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.098 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.04 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.112 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -50.46 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.02 110.811 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -47.84 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.1 111.042 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.42 90.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.828 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.71 -48.06 78.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.05 -53.84 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.952 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.502 ' CB ' HD21 ' A' ' 47' ' ' LEU . 28.3 mmt -64.38 -32.66 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.938 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.09 16.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.31 111.064 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.01 75.05 38.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 74.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.73 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 71.34 112.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -66.81 -11.22 54.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.53 110.808 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 mtp -80.0 -15.59 56.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.896 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.4 m -60.94 148.64 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 75.05 111.145 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -52.55 169.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.905 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -177.79 158.87 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 73.24 110.903 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.71 148.24 86.21 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 -1.774 . . . . 63.23 112.329 0.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.82 129.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.11 111.164 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.18 127.45 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.2 110.907 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.89 128.52 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -142.95 112.06 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.07 27.2 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.866 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.68 -23.93 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.513 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -73.93 125.13 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 41.15 110.852 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.9 tp -99.34 128.68 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.3 ptp -126.14 147.91 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.921 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.48 145.66 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.01 111.137 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 168.35 17.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.484 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -132.71 155.6 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 74.21 110.854 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -52.83 160.67 1.38 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 73.41 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 72.25 112.323 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.49 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -49.05 51.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.893 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.84 -42.7 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.918 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.35 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 54.12 110.828 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.48 -27.4 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.123 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -82.55 -54.59 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.981 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.961 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.883 0.373 . . . . 54.24 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.639 HG23 ' HB ' ' A' ' 33' ' ' THR . 6.7 m -118.33 130.14 55.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 55.12 111.162 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 tt -115.4 137.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 62.44 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -119.14 135.43 54.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 60.44 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.62 -163.37 25.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 61.14 112.568 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.805 HG22 ' CD1' ' A' ' 37' ' ' TYR . 30.4 pt -111.81 172.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.918 0.39 . . . . 72.24 111.14 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -98.76 165.17 11.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.898 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 56.73 42.24 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.938 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 t -123.12 128.22 49.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 62.11 110.89 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.22 -51.25 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 54.43 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -51.84 -55.67 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.136 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mmm -51.94 -48.39 64.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.92 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -52.56 -51.42 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 54.5 110.927 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -57.91 -44.88 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.931 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.65 68.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 53.12 111.093 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -56.91 -49.07 76.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.867 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.69 -34.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.141 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -55.89 12.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.6 mm? -58.26 -41.28 83.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 70.24 110.927 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.95 -45.79 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 72.41 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -62.86 -17.02 60.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.823 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.91 18.04 21.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 61.3 112.434 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.45 147.8 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 74.32 111.133 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.07 120.51 42.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.89 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.6 m-85 -114.32 143.99 43.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.928 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.639 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -82.91 112.73 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.117 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -77.37 117.81 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.835 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -119.52 123.91 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.855 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.2 129.51 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.805 ' CD1' HG22 ' A' ' 12' ' ' ILE . 15.4 p90 -51.19 -36.91 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.45 110.895 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -79.41 -48.81 13.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.844 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -47.37 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.924 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -39.57 86.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.881 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.47 96.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.13 112.475 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.7 131.26 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 61.22 110.897 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' HD13 ' A' ' 42' ' ' LEU . 7.8 m-20 -114.31 153.44 29.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 53.01 110.874 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.68 -49.17 62.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.057 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.46 -50.95 64.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.919 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.591 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -56.73 -48.1 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.34 111.112 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -54.63 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.947 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -53.06 -52.64 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 70.5 110.796 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -56.92 -34.76 68.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.836 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CE1' HD22 ' A' ' 105' ' ' LEU . 8.5 m-85 -73.37 -33.34 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.876 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.48 -38.98 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.879 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -67.07 -28.53 68.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -91.72 -28.04 17.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.105 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.7 t -138.31 133.34 17.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 51.22 111.1 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.85 141.45 44.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 74.41 112.386 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -52.2 -41.65 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.09 -29.4 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -116.22 25.14 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.95 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.02 -24.64 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -119.53 149.39 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.972 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -50.97 143.77 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.886 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -115.99 -31.52 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.92 -23.27 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 151.73 26.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 64.14 112.483 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.6 p -52.74 -33.62 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 74.54 111.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.13 62.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.01 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -78.1 -34.85 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -78.33 -4.33 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.52 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 70' ' ' LEU . 23.7 mmtt -60.23 -23.16 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.67 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.3 mp -120.66 155.69 56.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 75.04 110.943 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.1 Cg_endo -69.81 156.24 63.73 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 72.42 112.341 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.49 -34.58 36.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -64.98 -51.69 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.819 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.67 ' CG1' HD23 ' A' ' 70' ' ' LEU . 53.7 t -67.53 -33.95 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -70.33 -27.54 64.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -15.96 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.833 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -78.95 -3.19 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 63.33 110.884 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.03 131.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 61.22 111.193 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.18 -178.91 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.88 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 60.14 111.136 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.26 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 55.31 111.072 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -51.95 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.816 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.14 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.078 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.09 -39.31 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.811 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.3 -43.92 80.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.45 -49.67 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -32.34 73.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.5 tt -65.87 -47.13 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.32 -48.28 20.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.068 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -124.64 79.91 62.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 74.41 110.931 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.75 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.747 2.298 . . . . 71.34 112.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -18.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.53 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -19.43 45.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.869 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 95' ' ' LYS . 84.1 t -54.68 145.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 75.05 111.149 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.657 ' HD2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.01 171.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.877 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -174.71 159.53 2.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 73.24 110.893 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.83 143.31 73.64 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.729 -1.78 . . . . 63.23 112.324 0.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 105' ' ' LEU . 85.1 t -93.72 125.78 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.141 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.83 122.77 48.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.54 130.14 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.9 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -152.07 122.69 7.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.66 27.43 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.864 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.91 -39.47 2.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.456 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -67.66 135.13 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 41.15 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.702 HD22 ' CE1' ' A' ' 50' ' ' PHE . 7.9 tp -100.02 154.16 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.969 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mmm -136.95 145.09 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.837 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.55 HG13 ' CG ' ' A' ' 95' ' ' LYS . 39.4 t -91.82 125.55 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.21 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.41 139.2 45.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 74.34 112.46 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.9 156.04 17.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 74.21 110.854 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -51.75 160.84 0.99 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 73.41 110.862 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -48.48 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.28 . . . . 72.25 112.323 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.64 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.096 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.17 -48.9 39.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 63.54 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.09 -42.9 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.912 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.6 -50.43 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 54.12 110.853 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.35 -25.07 65.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.056 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -81.86 -56.55 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.957 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.1 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 73.25 110.908 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 54.24 111.109 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -105.07 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 55.12 111.157 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -114.84 137.67 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 62.44 111.096 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -108.36 153.19 23.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 60.44 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.78 -169.57 36.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.14 112.459 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.414 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -123.14 176.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 72.24 111.142 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.64 -25.91 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.34 70.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 43.33 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -156.95 141.94 17.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.901 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -89.62 -36.19 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.81 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -51.87 -44.27 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 64.53 111.09 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.1 mmm -52.26 -38.14 57.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.88 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.5 -51.48 69.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 54.5 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.25 -48.96 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.863 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 53.12 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -61.28 -48.17 82.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 70.51 110.88 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.13 -36.63 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 74.45 111.138 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -68.25 -55.85 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.75 -38.66 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -70.52 -49.11 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.99 -44.9 74.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.814 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -62.72 -17.03 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 27.77 12.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 61.3 112.457 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.0 mt -107.4 150.23 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 74.32 111.133 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -118.97 112.13 19.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.778 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.2 151.73 30.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 70.01 110.883 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -82.6 111.48 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 70.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -77.31 121.08 23.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.865 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.23 123.86 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.04 136.95 33.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 70.42 110.83 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -51.72 -32.26 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.915 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -88.79 -46.65 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.948 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.26 -46.14 72.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.88 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -32.03 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.922 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.51 97.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.429 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -73.67 132.55 42.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.333 . . . . 61.22 110.923 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.528 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.4 t70 -122.66 179.43 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 53.01 110.868 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.95 65.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.41 111.129 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -52.86 -51.31 61.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.31 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 84' ' ' ARG . 2.9 tm? -53.22 -49.86 65.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.91 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.5 -39.25 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 70.5 110.859 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -61.83 -43.52 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.692 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.3 m-85 -73.15 -34.13 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.921 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -71.21 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 70.24 110.869 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.855 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.607 HG21 ' HA ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -91.62 -32.95 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.113 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 59' ' ' LEU . 58.4 t -137.03 133.39 18.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.616 0.722 . . . . 51.22 111.153 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.8 144.48 53.93 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.661 2.241 . . . . 74.41 112.342 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HB3' HD21 ' A' ' 51' ' ' LEU . 62.9 p-90 -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.938 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.8 -27.16 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -123.15 22.95 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' HG12 ' A' ' 54' ' ' VAL . 21.1 tp -127.73 0.33 6.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 61.44 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.5 pp -150.51 135.24 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.904 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.5 p-10 -56.66 143.98 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.948 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 -23.39 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 73.11 110.891 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.79 30.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 40.23 111.134 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.429 ' HA3' ' ND2' ' A' ' 61' ' ' ASN . . . -122.72 169.78 15.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 64.14 112.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -51.58 -31.2 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.54 111.163 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 93' ' ' MET . 30.0 p -52.79 -38.15 60.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 75.01 111.092 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -78.22 -34.79 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 75.02 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -79.56 -3.81 48.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.895 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -59.97 -30.06 68.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.875 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.1 mp -116.07 158.07 43.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 75.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -179.72 3.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 72.42 112.351 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -71.32 -48.31 51.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 64.42 110.891 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.58 -35.05 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 73.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.706 ' CG1' HD23 ' A' ' 70' ' ' LEU . 58.3 t -85.66 -46.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.143 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -45.15 79.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.872 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.865 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.42 26.08 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.33 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.8 129.95 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 61.22 111.085 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -178.61 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.12 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 60.14 111.125 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.2 8.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 55.31 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -54.73 -51.67 64.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.807 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.96 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 62.1 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' HD11 ' A' ' 47' ' ' LEU . 19.0 mtm180 -52.28 -43.26 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.98 -34.21 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.62 -38.65 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.847 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.563 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.34 -43.65 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.905 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.14 -42.98 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.915 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -47.97 35.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 72.31 111.108 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -135.24 78.2 52.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 74.41 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.511 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.81 -7.9 22.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 71.34 112.333 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -59.4 -20.76 57.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.53 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.692 ' HB2' HG21 ' A' ' 66' ' ' THR . 15.2 ptp -86.23 -17.68 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.33 110.86 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 87' ' ' MET . 95.6 t -50.88 143.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 75.05 111.132 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -51.38 161.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.866 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.516 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -171.82 159.9 4.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 73.24 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.63 156.6 92.36 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 -1.793 . . . . 63.23 112.401 -0.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 105' ' ' LEU . 94.0 t -116.12 136.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.11 111.136 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 mp -114.45 127.36 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -111.68 135.58 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -163.85 123.71 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.942 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 53.23 28.8 7.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.838 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.93 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 31.54 112.455 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.607 ' HA ' HG21 ' A' ' 53' ' ' THR . 24.8 mttm -61.65 125.01 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 41.15 110.955 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.4 tp -97.16 152.56 18.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 75.31 110.883 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ttp -134.14 141.06 46.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.925 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.89 136.74 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.01 111.158 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 166.88 20.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.473 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -138.83 155.82 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.21 110.874 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -52.31 160.67 1.21 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 73.41 110.895 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 72.25 112.312 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.82 80.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.045 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -71.28 -48.51 50.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.54 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.66 -42.65 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.911 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.34 -50.46 38.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.09 -29.19 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.083 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -82.62 -38.07 24.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.992 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 73.25 110.894 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.421 0.456 . . . . 53.12 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -178.55 2.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 61.23 112.29 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.92 99.38 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 62.35 112.479 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -70.05 -46.41 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 72.23 110.873 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.07 171.69 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 62.03 110.84 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.881 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 66.8 t -96.95 135.51 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 54.24 111.093 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.621 HG23 ' HB ' ' A' ' 33' ' ' THR . 16.0 m -111.31 130.11 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 55.12 111.102 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 ' CB ' ' A' ' 97' ' ' PRO . 11.0 tt -114.69 137.39 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 62.44 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.97 155.98 25.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 60.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.54 -138.97 5.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.798 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -133.33 176.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.365 . . . . 72.24 111.145 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -103.21 -25.84 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.873 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -91.08 61.91 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 43.33 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.664 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.4 t -156.95 141.23 16.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.19 -43.83 40.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 54.43 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -51.86 -48.07 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 64.53 111.134 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 57.4 mmm -51.91 -47.28 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 72.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -60.52 -42.42 96.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 54.5 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -64.36 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.862 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.96 -51.93 22.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 53.12 111.144 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.93 -40.23 88.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 70.51 110.86 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.17 -52.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -54.29 -53.42 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.2 mm? -60.65 -43.24 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 70.24 110.908 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.33 -41.12 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.897 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -67.43 -40.39 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.853 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -62.75 -16.99 60.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.94 19.28 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.44 140.24 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 74.32 111.115 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.59 116.38 28.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.867 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.72 127.95 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 70.01 110.954 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.621 ' HB ' HG23 ' A' ' 8' ' ' THR . 34.7 m -84.54 114.53 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -76.96 115.55 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -124.24 123.76 40.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.813 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.54 146.59 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 70.42 110.847 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.798 ' CD1' HG22 ' A' ' 12' ' ' ILE . 37.4 p90 -51.68 -38.63 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.931 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -30.31 26.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 74.3 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.66 -47.42 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.907 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.43 -24.88 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.24 96.25 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 54.13 112.48 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.877 HD11 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -81.53 123.03 28.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 61.22 110.951 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' C ' HD21 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -141.16 177.47 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 53.01 110.883 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.4 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 54.41 111.075 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.85 -51.42 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 65.44 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.677 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -59.42 -47.73 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.137 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.7 -50.58 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.912 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -57.72 -48.31 79.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 70.5 110.886 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -42.12 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.896 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.677 ' CE2' HG22 ' A' ' 46' ' ' THR . 20.6 m-85 -68.1 -51.63 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -59.6 -26.64 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.936 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -82.48 -24.05 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.903 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.9 m -83.95 -33.33 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 72.44 111.169 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.744 HG23 ' CD1' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -141.24 158.04 65.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 51.22 111.132 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.14 41.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 74.41 112.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HB3' HD21 ' A' ' 51' ' ' LEU . 46.0 p-90 -57.45 -24.14 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.921 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.48 -30.52 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -111.96 27.39 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -109.82 -22.92 11.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 61.44 110.935 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 ' CE ' ' A' ' 93' ' ' MET . 1.7 pp -132.55 133.32 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 6.2 p-10 -51.79 143.91 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.852 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -116.08 -18.21 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.19 29.84 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 40.23 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 61' ' ' ASN . . . -122.89 -161.48 11.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 64.14 112.503 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -81.64 -31.58 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 74.54 111.144 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 93' ' ' MET . 62.3 p -52.87 -51.73 60.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -69.19 -36.34 77.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.02 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.4 -14.85 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 73.52 110.852 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -60.84 -52.63 64.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -70.25 159.1 85.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 75.04 110.942 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.2 Cg_endo -69.7 -176.43 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 72.42 112.394 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.11 -36.65 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.909 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -65.52 -51.44 59.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 70' ' ' LEU . 86.3 t -66.26 -44.89 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -51.97 -30.15 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 70.2 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.9 t -99.14 -20.97 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.4 42.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.86 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.31 138.4 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.53 164.32 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.834 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.14 111.122 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.37 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 55.31 111.086 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.8 m -53.74 -51.79 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.86 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.04 -56.25 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 62.1 111.054 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -51.59 -43.74 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.98 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.893 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 82' ' ' SER . 3.5 mm? -70.15 -36.79 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.11 110.929 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.714 ' CB ' HD21 ' A' ' 47' ' ' LEU . 35.3 mmt -72.36 -43.4 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -69.82 -35.6 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.0 -48.18 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.075 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.75 77.19 51.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 74.41 110.89 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.501 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.77 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 71.34 112.369 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -63.82 -16.23 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 60.53 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB2' HG21 ' A' ' 66' ' ' THR . 8.3 ptm -90.95 -14.82 30.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.581 HG22 ' SD ' ' A' ' 87' ' ' MET . 88.7 t -51.03 144.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.05 111.125 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.0 pttt -50.63 153.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.41 110.869 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -171.16 155.92 4.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 73.24 110.848 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.79 169.05 65.37 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 -1.817 . . . . 63.23 112.344 0.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD21 ' A' ' 105' ' ' LEU . 93.0 t -127.61 133.71 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 75.11 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.3 126.92 53.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 64.2 110.934 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -113.93 121.39 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.882 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.45 112.13 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 74.21 110.87 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 59.92 31.51 20.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.53 -45.03 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 31.54 112.487 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -56.53 124.15 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 41.15 110.867 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.532 HD21 HG13 ' A' ' 98' ' ' VAL . 6.9 tt -99.15 143.25 29.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.938 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.3 ttp -130.32 149.67 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.932 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.651 HG22 ' HD2' ' A' ' 95' ' ' LYS . 22.0 t -91.87 142.54 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.108 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 147.27 49.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.492 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.5 155.97 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 74.21 110.868 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -63.32 160.69 39.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.551 0.691 . . . . 73.41 110.958 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 72.25 112.354 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.1 81.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 74.33 111.052 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.36 -49.51 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 63.54 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.87 -42.46 72.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.901 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.55 -50.51 36.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 54.12 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.69 64.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.106 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -82.67 -59.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.921 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -59.7 -26.23 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.0 148.9 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 73.12 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.948 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.508 0.504 . . . . 53.12 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 176.95 6.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.709 2.272 . . . . 61.23 112.311 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.05 110.56 1.04 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 62.35 112.479 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -57.21 -27.6 62.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 72.23 110.829 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 ttp -74.81 89.29 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 62.03 110.883 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -106.2 94.24 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.878 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.439 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 17.6 m -87.12 174.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 54.24 111.141 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -122.06 131.73 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.118 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 97' ' ' PRO . 11.2 tt -114.72 137.38 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.165 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -109.19 139.31 44.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.97 -168.49 24.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.6 pt -130.57 176.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.24 111.117 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -108.35 175.59 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.873 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.63 26.36 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 43.33 110.821 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -121.4 -176.87 3.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.823 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -120.89 -33.53 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.828 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -51.48 -51.3 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.109 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.0 mtp -52.22 -32.52 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.839 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -60.3 -51.79 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.5 110.881 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -65.46 -43.35 90.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -61.11 -47.59 85.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 53.12 111.102 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.31 -49.4 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 70.51 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG22 ' OD2' ' A' ' 27' ' ' ASP . 39.1 mt -59.67 -36.16 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.11 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.74 -51.2 43.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 74.25 110.92 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -57.39 -47.3 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 70.24 110.924 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.35 -34.51 76.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' OD2' HG22 ' A' ' 23' ' ' ILE . 5.2 m-20 -61.92 -46.21 90.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.865 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -72.79 -16.99 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 42.46 8.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.768 . . . . 61.3 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.42 140.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 74.32 111.084 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -80.48 115.05 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.825 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 25' ' ' LEU . 3.6 m-85 -136.31 128.27 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.942 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.0 m -88.09 117.04 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 70.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -77.14 122.24 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.885 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.49 120.39 28.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.808 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.31 142.67 30.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.687 ' CD1' HG22 ' A' ' 12' ' ' ILE . 13.5 p90 -56.44 -29.78 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.891 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -92.7 -54.91 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 74.3 110.95 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -53.98 -27.63 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.904 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.14 -32.93 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.31 160.72 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 54.13 112.529 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -140.81 123.43 16.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 61.22 110.896 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 42' ' ' LEU . 6.8 m-20 -108.87 162.64 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 53.01 110.835 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.06 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.16 -50.0 62.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 65.44 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.599 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -61.72 -50.61 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.181 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -55.15 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -53.25 -51.26 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.915 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -56.31 -37.58 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.845 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.2 m-85 -72.4 -39.29 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.4 -33.37 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.932 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -71.18 -25.72 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.904 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 m -92.12 -33.17 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.65 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.8 t -141.32 133.35 13.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.539 0.685 . . . . 51.22 111.193 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.86 144.59 53.98 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 74.41 112.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -56.36 -25.1 48.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -32.84 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -122.59 23.85 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' HB ' ' A' ' 54' ' ' VAL . 8.3 tp -116.1 -17.21 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.92 149.46 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 71.44 110.927 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.493 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.34 143.59 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.913 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.53 -47.98 3.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 27.51 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 40.23 111.096 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.46 160.0 22.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 64.14 112.47 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -51.82 -34.29 39.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 74.54 111.1 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.183 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -76.0 -34.78 59.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.904 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -20.85 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.83 -25.41 66.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.848 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.731 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -88.81 157.92 48.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 75.04 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 178.82 4.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 72.42 112.369 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -71.3 -36.08 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.855 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.26 -51.72 49.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD23 ' A' ' 70' ' ' LEU . 79.4 t -65.76 -33.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 71.3 111.125 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.91 -25.7 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 t -98.29 -23.47 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 72.3 110.945 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -93.26 42.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 63.33 110.951 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.76 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.22 111.073 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -129.61 170.18 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.876 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.35 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.14 111.053 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -58.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 55.31 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.8 m -53.99 -51.66 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.861 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.06 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.1 111.162 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -56.94 -44.05 82.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.79 -46.83 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 82' ' ' SER . 3.9 mm? -55.27 -49.34 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -32.7 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.891 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.3 tt -58.94 -55.6 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.02 -25.17 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.31 111.095 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.57 74.37 75.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.624 0.726 . . . . 74.41 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.471 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.74 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 2.215 . . . . 71.34 112.429 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 p -58.13 -23.68 55.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.834 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -19.22 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 91' ' ' PRO . 59.9 t -57.11 142.75 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.201 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 162.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.887 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.54 159.63 2.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 73.24 110.825 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.73 153.34 92.85 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.757 -1.768 . . . . 63.23 112.264 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.1 t -115.29 141.79 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.09 122.93 49.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.8 117.85 34.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.22 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 109.8 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.875 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 54.62 28.74 10.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 73.03 110.851 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 -43.07 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 31.54 112.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -54.92 134.46 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 41.15 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.97 137.19 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.95 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.5 mtp -131.57 142.82 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.851 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -93.37 142.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.082 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 164.73 24.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 74.34 112.47 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -136.91 154.41 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 74.21 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -52.5 160.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.551 0.691 . . . . 73.41 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.692 2.262 . . . . 72.25 112.385 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.37 81.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.074 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.17 -49.0 48.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 63.54 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.26 -42.07 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.52 110.935 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.6 -50.41 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 54.12 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.7 -31.33 68.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.118 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.15 -36.28 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.017 0.436 . . . . 72.22 110.995 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -100.11 27.4 5.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.816 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -70.42 161.29 30.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.904 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.918 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.44 0.467 . . . . 53.12 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 61.23 112.321 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.02 -52.28 1.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.673 -0.775 . . . . 62.35 112.505 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -61.93 -51.2 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 72.23 110.862 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -98.13 168.89 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 62.03 110.902 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 p -138.85 154.96 48.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.841 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.693 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.2 p -124.18 123.18 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 54.24 111.101 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -119.44 138.91 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 55.12 111.139 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.626 HG21 ' NH2' ' A' ' 22' ' ' ARG . 11.6 tt -114.85 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 62.44 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -106.33 133.64 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.918 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.32 21.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 61.14 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.745 HG22 ' CD1' ' A' ' 37' ' ' TYR . 6.7 pt -136.34 173.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 72.24 111.146 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.64 35.95 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.942 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.619 ' HB2' HD12 ' A' ' 12' ' ' ILE . 67.2 m-20 -142.75 45.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 43.33 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -155.8 166.41 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.35 -34.19 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.5 m -51.74 -36.93 49.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.165 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.06 65.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.834 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -57.21 -51.22 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.5 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -59.8 -43.01 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.32 110.859 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 53.12 111.162 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.626 ' NH2' HG21 ' A' ' 9' ' ' ILE . 6.0 mmp_? -60.07 -48.23 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.813 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.6 mt -58.31 -36.35 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.162 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -55.95 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.907 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -38.96 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.93 -44.24 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.839 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.34 -16.96 64.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 71.45 110.863 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.57 37.84 19.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 61.3 112.497 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -107.19 146.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 74.32 111.199 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.59 106.38 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.869 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 7' ' ' VAL . 2.4 m-85 -119.64 134.63 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 70.01 110.92 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.7 110.47 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 70.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -77.09 120.84 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.58 123.17 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.853 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.56 151.47 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.809 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.745 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.2 p90 -54.77 -29.41 53.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.834 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -90.93 -51.38 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.858 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -47.52 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.888 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.62 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.971 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.33 96.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 54.13 112.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -78.63 127.04 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 61.22 110.922 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -117.39 168.75 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.839 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -58.01 -42.25 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.17 -50.98 67.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.848 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.641 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.75 -51.44 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.133 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.03 -49.74 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.96 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.18 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.899 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.78 -39.74 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.1 m-85 -71.97 -32.1 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -70.39 -37.22 74.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 70.24 110.909 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.86 -44.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.926 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -74.64 -26.75 60.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 72.44 111.142 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -147.36 133.33 9.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 51.22 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.8 Cg_endo -69.83 138.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.606 2.204 . . . . 74.41 112.377 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.439 ' HB3' HD21 ' A' ' 51' ' ' LEU . 47.3 p-90 -54.05 -28.32 38.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -35.48 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.9 29.07 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.866 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 61.44 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.91 149.77 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.883 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.573 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -53.27 143.99 17.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.854 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 -53.33 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.03 -21.33 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 40.23 111.059 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.69 149.04 8.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.2 p -53.15 -32.98 50.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 74.54 111.106 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -37.44 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.01 111.2 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -77.93 -34.85 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -76.4 -5.55 47.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.898 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -84.35 157.22 62.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 75.04 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 178.75 4.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.686 2.258 . . . . 72.42 112.431 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.4 -35.14 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 64.42 110.889 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -67.96 -51.83 43.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.706 HG12 HD23 ' A' ' 70' ' ' LEU . 76.1 t -64.85 -30.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 71.3 111.097 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' NH2' HD22 ' A' ' 70' ' ' LEU . 3.3 mmp_? -81.97 -24.78 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 70.2 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -84.2 -24.4 30.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.51 20.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.37 129.67 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.159 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -128.59 -176.62 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.945 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -56.51 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.072 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.89 -58.34 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 55.31 111.109 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -54.27 -48.93 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.829 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.2 -46.61 62.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 62.1 111.121 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -66.21 -38.6 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.794 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.74 -48.56 74.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.04 -51.98 65.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.11 110.909 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.781 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.7 -32.56 72.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.872 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 44' ' ' ALA . 8.3 tt -65.82 -54.27 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.95 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.93 -48.32 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.31 111.112 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -122.52 78.7 46.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.41 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.63 2.22 . . . . 71.34 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -58.67 -21.03 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.53 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtp -80.47 -19.23 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 71.33 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.0 t -57.54 143.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.05 111.15 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 157.41 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 64.41 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -170.88 159.75 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.69 . . . . 73.24 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 63.23 112.296 0.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.2 139.78 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.128 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.99 123.24 49.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.2 110.904 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.29 115.41 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.22 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -150.46 128.92 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t0 59.23 37.42 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.834 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.94 22.48 72.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 31.54 112.457 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -119.11 130.49 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 41.15 110.888 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.43 134.34 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.919 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.6 mtm -126.76 146.87 50.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.841 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -91.79 136.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.01 111.193 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.13 151.59 47.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 74.34 112.48 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -129.53 155.98 44.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 74.21 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -51.48 160.71 0.93 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 73.41 110.859 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 72.25 112.263 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.07 81.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 74.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -69.78 -49.32 54.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.45 -41.11 69.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -50.51 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.933 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.14 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -80.9 -41.55 22.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.41 -36.65 69.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.91 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.31 147.96 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 43.6 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 62.42 110.94 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 121.442 0.468 . . . . 53.12 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.54 18.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 61.23 112.347 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.57 26.92 11.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.852 -0.69 . . . . 62.35 112.526 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 p -62.69 -33.81 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 72.23 110.837 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.0 mtp -101.25 -30.26 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -77.05 66.02 2.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.899 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 99' ' ' LEU . 22.0 t -126.12 114.38 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 54.24 111.145 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -131.68 135.42 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 55.12 111.202 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 33' ' ' THR . 13.4 tt -114.74 143.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 62.44 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -118.27 136.01 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 60.44 110.902 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.67 -157.26 12.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 61.14 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 pt -136.45 155.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.24 111.134 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -95.14 50.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.876 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -155.79 30.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 43.33 110.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 p -136.49 -178.54 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 62.11 110.849 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.84 -30.73 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.834 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.5 -42.96 75.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.53 111.088 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.867 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -51.7 66.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 54.5 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.95 -38.8 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.892 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.39 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.12 111.156 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -69.63 -47.63 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 70.51 110.831 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.51 -37.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.45 111.119 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -69.32 -50.99 41.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 30' ' ' ILE . 3.5 mm? -59.68 -38.93 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 70.24 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -72.7 -48.77 36.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.913 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.53 -39.37 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.75 -16.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.843 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 40.11 10.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.701 -0.761 . . . . 61.3 112.432 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 25' ' ' LEU . 79.5 mt -102.2 143.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.857 0.361 . . . . 74.32 111.159 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -85.26 129.57 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.837 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -172.02 134.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.937 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 9' ' ' ILE . 12.6 m -90.54 134.81 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 70.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.63 115.0 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.941 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -115.69 123.87 49.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.95 139.74 42.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 70.42 110.856 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 42' ' ' LEU . 19.1 m-85 -71.28 -38.03 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.931 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -54.58 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.891 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -54.18 -47.5 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.927 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.48 -70.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.826 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.63 111.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 54.13 112.487 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -81.43 112.34 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 61.22 110.841 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.67 157.38 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 53.01 110.906 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.14 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 54.41 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.668 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.37 -45.98 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.112 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.03 -50.35 69.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.95 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.56 -43.24 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 70.5 110.855 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -58.21 -39.55 79.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.859 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 46' ' ' THR . 21.8 m-85 -73.18 -39.34 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 71.14 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -62.81 -37.9 88.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.24 110.918 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.52 -25.76 66.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 72.22 110.942 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -93.34 -25.02 17.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.44 111.115 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -144.17 133.28 11.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 51.22 111.118 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.84 145.17 55.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 74.41 112.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 60' ' ' LEU . 62.4 p-90 -52.31 -43.13 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.93 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.92 -32.04 31.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -116.01 25.91 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.89 13.18 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 61.44 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.35 147.39 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.923 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.72 140.99 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.09 -55.2 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.817 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.56 25.06 10.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 40.23 111.085 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.9 -169.89 43.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 64.14 112.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -81.31 -43.35 19.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 74.54 111.183 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 p -55.47 -43.85 75.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.68 -34.83 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.894 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -22.99 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -60.82 -43.68 97.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG11 ' A' ' 74' ' ' VAL . 20.1 mt -70.24 156.69 91.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 75.04 110.93 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 72.42 112.326 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -71.23 -36.36 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.98 -50.83 64.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.005 HG11 HD22 ' A' ' 70' ' ' LEU . 95.5 t -67.69 -42.43 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 71.3 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.95 -22.69 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 70.2 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -13.34 15.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.901 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -93.1 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.903 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.9 t -93.75 134.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 61.22 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.96 175.88 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.98 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 60.14 111.084 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.62 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 55.31 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.808 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.23 -49.64 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 62.1 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -63.86 -37.31 86.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.871 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.89 -41.27 87.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.921 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.17 -49.02 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.3 mmt -65.87 -32.61 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.4 110.871 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -55.38 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.24 -48.35 65.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.101 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -126.24 80.34 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.44 21.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 71.34 112.372 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -58.18 -21.97 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 60.53 110.801 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtp -80.47 -19.62 45.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 71.33 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -51.93 141.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -51.83 159.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.879 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -174.37 159.56 2.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 73.24 110.895 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.75 153.06 92.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 -1.803 . . . . 63.23 112.331 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.414 HG13 ' HG ' ' A' ' 105' ' ' LEU . 88.5 t -114.0 121.28 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -114.09 123.82 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 64.2 110.943 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -105.01 120.18 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.888 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -125.14 116.29 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.83 26.06 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.49 8.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 134.24 46.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 41.15 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.414 ' HG ' HG13 ' A' ' 98' ' ' VAL . 6.8 tp -97.9 134.38 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.911 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mmm -125.48 145.22 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.843 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.85 143.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 75.01 111.192 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.35 157.24 37.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.31 156.08 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 74.21 110.858 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -51.82 160.78 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 73.41 110.846 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.25 112.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.11 80.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.094 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.18 -49.52 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 63.54 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.97 -42.17 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.943 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.6 -50.4 37.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 54.12 110.939 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.82 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.13 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -82.69 -38.64 23.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -96.88 30.31 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.833 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -71.35 173.43 7.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.881 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 62.42 110.867 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 121.463 0.479 . . . . 53.12 112.54 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.14 9.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 61.23 112.29 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.96 104.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 62.35 112.503 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -63.6 -53.59 49.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 72.23 110.944 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.7 mtt -74.93 166.63 23.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 62.03 110.863 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -81.13 136.37 35.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.899 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.1 t -100.71 145.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 54.24 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.9 m -109.89 130.44 55.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 55.12 111.152 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.91 137.62 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 62.44 111.121 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -99.95 154.45 18.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.926 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.51 -166.81 33.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 61.14 112.457 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 37' ' ' TYR . 23.3 pt -142.48 176.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.967 0.413 . . . . 72.24 111.052 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.925 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -105.64 69.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 43.33 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -156.91 143.18 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.11 110.872 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.39 -36.35 11.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.438 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -52.75 -37.42 59.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.159 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.32 -30.71 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.85 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -51.54 57.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 54.5 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -66.95 -37.32 84.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.854 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.44 94.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 53.12 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -68.27 -48.97 63.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.848 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -58.68 -40.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -67.29 -55.0 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.89 -43.33 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.7 -47.33 69.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.67 -44.16 73.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.904 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.92 -16.89 60.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.45 23.02 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.794 -0.717 . . . . 61.3 112.509 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.7 mt -107.5 147.76 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 74.32 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.42 116.99 27.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.881 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.7 157.95 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.01 110.891 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -89.09 105.57 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 70.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.13 120.35 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -125.53 116.28 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.35 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -79.6 147.65 32.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' ' 12' ' ' ILE . 25.0 p90 -52.03 -33.13 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.994 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.878 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -53.93 -47.7 70.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.84 -23.45 52.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.56 97.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.677 -0.773 . . . . 54.13 112.489 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.91 115.16 20.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 61.22 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -119.87 178.8 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.01 110.863 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.442 ' CA ' HD11 ' A' ' 88' ' ' LEU . . . -57.67 -40.67 79.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.046 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.0 -51.4 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 65.44 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -52.86 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.34 111.09 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -52.46 -49.0 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 72.53 110.877 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.78 -53.77 54.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.817 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -56.66 -39.54 73.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.69 -27.13 61.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.906 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.77 -51.59 21.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 70.24 110.932 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -60.16 -26.94 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.94 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -89.51 -29.59 18.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 105' ' ' LEU . 57.8 t -145.97 133.4 10.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.686 0.755 . . . . 51.22 111.029 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.78 141.42 45.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 74.41 112.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -52.18 -43.76 64.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 72.32 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.74 -30.18 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -116.87 28.73 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.953 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.1 tp -127.54 6.79 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.843 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -147.98 149.6 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 71.44 110.912 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.2 p30 -51.62 138.62 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.981 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -107.23 -40.23 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.77 29.6 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 40.23 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.68 151.75 17.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.52 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.0 p -53.3 -31.84 45.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 74.54 111.194 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -49.22 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.093 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.33 -34.78 78.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -74.77 -7.14 52.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 3.9 mp -87.28 152.84 53.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 75.04 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.4 Cg_endo -69.66 -179.17 2.69 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.673 2.249 . . . . 72.42 112.407 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.4 -37.38 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.2 -51.72 65.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 70' ' ' LEU . 91.6 t -64.86 -40.04 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.103 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.53 HH21 HD22 ' A' ' 70' ' ' LEU . 5.3 mmp_? -71.79 -22.9 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.797 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -85.17 -22.43 28.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -95.3 23.84 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.33 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -81.46 135.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -133.47 -178.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.01 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 60.14 111.063 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.14 7.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -49.67 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.26 62.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 62.1 111.106 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -64.4 -49.95 69.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.799 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.6 -49.8 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.906 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.38 -53.71 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.813 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.68 -32.77 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.923 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -65.67 -56.43 12.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.904 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.8 -48.33 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 72.31 111.096 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.97 78.84 16.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.715 . . . . 74.41 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.82 -7.36 20.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 71.34 112.358 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.0 t -58.5 -20.71 48.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 60.53 110.822 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.5 mtp -80.58 -19.23 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 71.33 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 91' ' ' PRO . 58.7 t -57.45 145.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.108 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 168.71 10.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.837 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.511 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.6 ptp85 -174.83 159.44 2.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.594 0.711 . . . . 73.24 110.823 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.9 Cg_endo -69.69 152.13 91.86 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 -1.779 . . . . 63.23 112.368 -0.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 105' ' ' LEU . 90.3 t -113.16 130.44 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.11 111.183 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.24 129.5 55.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.937 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -116.71 115.24 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -146.44 125.27 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.28 28.12 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.28 -44.37 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 31.54 112.539 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.2 132.09 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 41.15 110.861 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 54' ' ' VAL . 4.5 tp -99.93 150.61 22.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.888 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.15 139.91 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 74.33 110.828 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.89 141.3 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.123 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.6 168.17 18.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 74.34 112.433 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -141.76 155.95 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 74.21 110.871 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -53.14 160.66 1.53 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 73.41 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -48.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 72.25 112.325 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.85 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.95 -49.37 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.54 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.44 -42.68 74.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.57 -50.46 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.23 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.126 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.6 -40.69 20.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.38 -34.89 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.901 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.65 125.01 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.922 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 62.42 110.914 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.483 0.49 . . . . 53.12 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.02 58.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.284 . . . . 61.23 112.336 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.85 108.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 62.35 112.567 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.6 p -86.83 -31.87 20.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 72.23 110.824 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 mtp -75.08 -35.29 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 62.03 110.859 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -114.02 177.44 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.893 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.06 140.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 54.24 111.106 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 135.3 51.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 55.12 111.184 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 33' ' ' THR . 13.0 tt -114.82 143.33 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.096 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -111.96 124.35 52.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 60.44 110.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.79 -168.34 17.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 61.14 112.562 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.99 176.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 72.24 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -90.56 -25.99 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.866 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -91.84 64.79 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 43.33 110.903 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.06 161.07 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.49 -41.12 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -51.72 -32.93 32.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 64.53 111.185 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -34.22 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.957 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 23' ' ' ILE . 4.1 tppt? -64.56 -51.62 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.5 110.911 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -52.13 66.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.869 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.93 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 53.12 111.084 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -58.63 -49.14 78.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 70.51 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 19' ' ' LYS . 22.9 mt -59.73 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.149 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.72 -50.64 49.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.934 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD13 HD12 ' A' ' 30' ' ' ILE . 4.1 mm? -57.38 -47.67 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.88 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -67.89 -35.58 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.86 -41.43 99.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 72.41 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -80.68 -17.02 52.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.12 51.7 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 61.3 112.548 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 HD13 ' A' ' 25' ' ' LEU . 83.8 mt -105.53 143.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 74.32 111.1 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -86.17 119.43 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 75.12 110.918 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -160.73 135.12 7.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.254 -0.43 . . . . 70.01 111.022 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 9' ' ' ILE . 34.6 m -92.24 135.5 33.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.89 110.33 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.4 110.929 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.58 122.76 48.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.95 136.5 33.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.83 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.517 ' HD1' HD23 ' A' ' 42' ' ' LEU . 6.9 m-85 -60.47 -43.33 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.848 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -71.77 -54.81 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -54.16 -47.52 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.953 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -67.48 -27.69 67.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 71.13 110.823 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 98.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.94 121.76 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 61.22 110.837 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.2 t70 -121.72 176.49 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 53.01 110.831 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.41 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 54.41 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.2 -50.84 71.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.934 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.436 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -63.69 -47.28 81.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 73.34 111.101 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -49.06 78.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.926 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.53 -47.55 85.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 70.5 110.884 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.2 -45.27 83.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' A' ' 46' ' ' THR . 12.9 m-85 -67.49 -33.75 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.926 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.61 -37.44 73.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.883 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -68.26 -36.5 79.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.903 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 m -82.04 -32.75 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 72.44 111.185 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.9 t -135.77 133.28 19.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.697 0.76 . . . . 51.22 111.178 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.5 Cg_endo -69.71 138.45 38.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.716 2.278 . . . . 74.41 112.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.611 ' HB3' HD21 ' A' ' 51' ' ' LEU . 56.6 p-90 -54.37 -27.47 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.861 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -53.43 -33.65 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.16 27.58 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.4 tp -114.79 -26.04 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -115.44 148.24 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.878 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.98 143.54 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.92 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -58.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.15 -18.81 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 40.23 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.79 144.58 16.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.14 112.511 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.7 p -51.96 -31.93 31.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 74.54 111.139 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -38.47 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.142 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -77.96 -35.25 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.865 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -75.4 -12.54 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.78 -51.66 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.975 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -62.95 159.07 49.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 75.04 110.879 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.8 179.77 3.49 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 72.42 112.332 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.26 -32.38 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.909 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.25 -47.69 63.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG11 HD12 ' A' ' 70' ' ' LEU . 92.6 t -71.58 -40.12 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.114 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -63.7 -25.09 68.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.888 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -99.85 -20.92 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.823 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -92.95 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.33 110.93 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.21 130.96 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 61.22 111.143 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.74 177.15 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.71 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 60.14 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.68 -56.51 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 55.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -51.67 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -47.82 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 62.1 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.77 -35.75 81.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.27 -40.24 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.823 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.88 -44.23 81.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.875 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 34.3 mmt -72.38 -32.99 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.84 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.4 tt -67.08 -58.45 4.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.835 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.3 64.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.082 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.77 74.58 79.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.541 0.686 . . . . 74.41 110.854 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.0 Cg_endo -69.81 -9.64 26.59 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.73 2.287 . . . . 71.34 112.245 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -61.63 -20.84 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 60.53 110.792 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.24 -19.27 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 91' ' ' PRO . 97.2 t -51.42 144.2 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 75.05 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -63.1 159.84 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 64.41 110.942 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.512 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 2.9 ptp85 -178.11 159.53 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.24 110.847 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.9 Cg_endo -69.6 154.86 92.99 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.756 -1.768 . . . . 63.23 112.413 -0.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.78 130.25 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.147 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.19 122.36 47.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.951 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.18 127.95 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 64.22 110.896 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -138.73 108.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.908 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t0 57.74 26.26 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.944 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.89 -33.41 6.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 31.54 112.454 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -61.91 136.43 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 41.15 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 54' ' ' VAL . 9.0 tp -109.75 120.39 42.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 mmt -114.18 138.97 49.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.41 144.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.1 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.54 146.26 49.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.42 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.69 156.01 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 74.21 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -51.89 160.66 1.08 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 73.41 110.95 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 72.25 112.299 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.87 80.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -49.36 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 63.54 110.856 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.5 -42.93 75.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.51 -50.49 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 54.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -24.22 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.23 111.084 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.66 -56.71 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.923 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.14 -28.87 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 73.25 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -61.55 144.31 54.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.891 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 120' ' ' LEU . 12.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 62.42 110.923 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.448 0.471 . . . . 53.12 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.78 23.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 61.23 112.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.49 97.93 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 62.35 112.458 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 m -75.97 -43.75 43.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 72.23 110.846 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpt -86.02 123.12 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.914 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -89.89 108.54 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 73.31 110.844 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 32' ' ' TYR . 40.3 t -101.1 147.65 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 54.24 111.1 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -112.48 125.65 54.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 55.12 111.107 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 33' ' ' THR . 12.7 tt -114.82 140.15 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.127 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.652 ' OH ' HD23 ' A' ' 42' ' ' LEU . 5.7 t80 -89.26 149.63 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 60.44 110.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.05 174.43 34.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 61.14 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.436 HG22 ' HD2' ' A' ' 37' ' ' TYR . 25.0 pt -140.35 160.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.978 0.418 . . . . 72.24 111.165 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -71.96 142.41 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.52 110.875 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.21 56.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 43.33 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -119.94 160.57 22.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.11 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 -50.6 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 54.43 110.864 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 96' ' ' ARG . 13.3 t -51.67 -32.53 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.53 111.234 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.73 -45.92 91.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -53.89 -51.51 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -60.83 -47.23 87.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 71.32 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.99 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 53.12 111.14 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -49.15 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 70.51 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.74 -35.3 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 74.45 111.093 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -67.18 -56.0 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 HD12 ' A' ' 30' ' ' ILE . 4.4 mm? -60.21 -47.49 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.24 110.99 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.99 -45.31 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.904 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.73 -45.64 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.94 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 20.47 13.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 61.3 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD12 HD13 ' A' ' 25' ' ' LEU . 48.1 mt -107.43 148.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 74.32 111.104 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -116.32 115.34 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.856 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 7' ' ' VAL . 2.5 m-85 -114.92 143.42 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.953 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 9' ' ' ILE . 10.6 m -82.74 117.72 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -77.07 116.04 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 74.4 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -119.18 104.74 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.47 136.62 32.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HD2' HG22 ' A' ' 12' ' ' ILE . 11.3 p90 -51.38 -33.56 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.985 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -79.94 -40.39 28.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 74.3 110.879 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -54.08 -47.62 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.69 -24.06 20.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.76 100.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.435 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.652 HD23 ' OH ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -63.02 131.06 47.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 61.22 110.86 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 42' ' ' LEU . 59.8 m-20 -138.43 162.67 33.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.888 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -51.55 -31.55 24.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 54.41 111.114 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -65.68 -51.32 60.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 65.44 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 50' ' ' PHE . 3.3 m -64.05 -47.3 80.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.135 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.5 OUTLIER -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.884 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.96 -47.4 86.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 70.5 110.92 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -57.68 -40.52 79.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.1 m-85 -72.18 -33.17 67.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.871 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.02 -39.89 83.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.905 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -66.8 -29.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.905 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 p -87.98 -27.89 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.164 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 105' ' ' LEU . 59.9 t -144.11 133.29 11.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.634 0.731 . . . . 51.22 111.115 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 54' ' ' VAL . 52.6 Cg_endo -69.89 145.06 55.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 74.41 112.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -53.16 -41.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.955 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.43 -31.04 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 74.32 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -116.9 24.5 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.84 -22.44 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.44 110.876 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -117.8 149.94 39.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.96 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.5 p30 -51.46 143.59 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.865 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -56.25 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.805 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.09 29.68 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 40.23 111.089 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.56 151.48 18.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 64.14 112.503 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.5 p -52.15 -33.52 40.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 74.54 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.84 71.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 75.01 111.222 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.63 -34.8 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.874 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -76.72 -5.24 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 73.52 110.85 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.76 -40.8 93.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.43 110.921 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.13 HD22 HG11 ' A' ' 74' ' ' VAL . 12.4 mt -92.97 156.29 40.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 75.04 110.922 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.61 -178.42 2.28 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.734 2.289 . . . . 72.42 112.377 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.4 -36.19 71.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -51.76 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.13 HG11 HD22 ' A' ' 70' ' ' LEU . 80.3 t -62.23 -38.13 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.151 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 78' ' ' VAL . 6.3 mmp_? -75.74 -21.68 57.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -23.19 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -94.61 21.32 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 63.33 110.893 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 75' ' ' ARG . 10.9 p -86.73 135.68 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 61.22 111.125 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.61 179.91 5.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.873 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 60.14 111.087 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.23 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 55.31 111.081 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -51.55 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.859 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.25 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 62.1 111.073 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -59.65 -48.0 83.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.38 -53.03 62.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.943 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.97 -32.63 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.9 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 42' ' ' LEU . 2.3 tt -65.03 -56.81 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 71.42 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.25 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.07 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -119.41 79.31 20.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 74.41 110.937 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -7.45 21.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 71.34 112.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.8 m -58.48 -20.66 47.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 60.53 110.867 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.9 mtp -80.29 -19.22 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.83 136.03 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.05 111.166 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -51.65 159.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.883 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HD3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -174.44 159.67 2.64 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.632 0.729 . . . . 73.24 110.833 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.69 153.82 92.9 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 63.23 112.322 -0.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 87.9 t -117.43 137.96 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.181 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 mp -113.96 127.37 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 64.2 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -111.73 139.47 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -160.01 112.97 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 t0 54.21 30.38 12.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.85 26.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 31.54 112.474 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -72.34 123.63 23.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 41.15 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 54' ' ' VAL . 8.8 tp -100.46 146.38 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttt -133.0 139.68 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.891 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.84 127.54 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.142 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 173.08 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.522 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -144.9 156.08 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.895 0.379 . . . . 74.21 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -51.97 160.59 1.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 73.41 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -48.84 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 72.25 112.389 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.55 84.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.091 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -69.57 -48.85 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.54 110.865 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.34 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.915 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.43 -50.69 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 54.12 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.05 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -82.77 -38.66 22.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.878 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.0 -29.18 59.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -80.75 129.34 34.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.91 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.916 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 121.486 0.492 . . . . 53.12 112.58 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 128.9 16.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.24 . . . . 61.23 112.351 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.24 162.91 22.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 62.35 112.491 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -75.97 -41.88 50.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 72.23 110.819 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.0 ttm -116.47 146.14 42.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -105.46 148.51 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 73.31 110.829 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 32' ' ' TYR . 8.8 p -130.54 137.71 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 54.24 111.126 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -125.67 140.13 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 55.12 111.165 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tt -115.39 137.45 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.44 111.131 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 35' ' ' HIS . 3.9 m-85 -97.89 145.88 26.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 60.44 110.951 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.85 -170.31 32.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 61.14 112.451 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.705 HG22 ' CD1' ' A' ' 37' ' ' TYR . 28.9 pt -130.52 174.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 72.24 111.139 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -89.59 142.29 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.862 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t30 63.36 60.01 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 43.33 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.64 163.05 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.11 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.16 -45.27 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 54.43 110.838 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -51.55 -56.97 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 64.53 111.156 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 75.0 mmm -53.46 -37.56 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -56.64 -51.56 68.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -63.74 -47.34 81.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -57.3 -44.26 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.12 111.07 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -64.28 -49.34 72.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 70.51 110.818 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.84 -36.71 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.167 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -68.53 -48.8 63.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.935 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 21' ' ' ALA . 3.8 mm? -59.4 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.86 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -67.8 -34.9 77.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.72 -46.13 89.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.823 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -17.1 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.861 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.99 36.24 8.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 61.3 112.478 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mt -107.29 143.91 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.32 111.115 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.23 120.64 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.85 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CE1' HG11 ' A' ' 7' ' ' VAL . 3.4 m-85 -136.65 134.71 37.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 70.01 110.947 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -86.66 123.53 31.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.098 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -78.23 122.61 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 40' ' ' GLU . 21.5 t-80 -126.51 119.5 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.895 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.92 136.01 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.8 p90 -52.4 -34.33 47.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.903 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -85.77 -34.55 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -53.95 -32.43 53.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 74.4 110.891 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 17.5 mm-40 -118.28 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 71.13 110.773 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.58 104.66 2.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 54.13 112.484 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 115.91 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 61.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.4 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 53.01 110.865 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.18 85.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -56.57 -51.58 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 65.44 110.924 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -53.22 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.126 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -52.36 -47.62 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.887 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.5 110.843 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -58.17 -41.96 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.856 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD22 ' A' ' 105' ' ' LEU . 14.9 m-85 -71.19 -40.5 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 70.24 110.902 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.43 -50.65 15.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -68.04 -32.46 72.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.52 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.6 t -143.9 133.38 11.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.577 0.703 . . . . 51.22 111.144 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.87 148.48 64.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.645 2.23 . . . . 74.41 112.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.517 ' O ' HD23 ' A' ' 60' ' ' LEU . 60.8 p-90 -52.41 -42.83 64.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.961 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.04 -30.18 24.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.847 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -118.19 24.92 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 54' ' ' VAL . 15.5 tp -128.55 6.53 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.905 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -150.34 148.62 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.866 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.7 p30 -52.31 143.32 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.89 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -114.61 -49.1 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.02 29.53 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 40.23 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.45 158.78 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 64.14 112.47 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -52.51 -38.26 59.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.54 111.069 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -46.56 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.01 111.144 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -70.84 -35.13 72.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -75.57 -6.19 49.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.866 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -38.91 86.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.91 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -93.18 158.82 36.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.707 . . . . 75.04 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 -177.28 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 72.42 112.358 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -36.2 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.45 -51.92 60.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.845 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 71' ' ' PRO . 78.6 t -61.84 -35.93 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 71.3 111.145 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -77.91 -22.92 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.2 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.8 t -89.21 -23.14 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.3 110.902 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -95.56 25.15 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 63.33 110.908 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.41 134.27 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.117 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -135.76 -176.11 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.9 -59.22 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.068 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 55.31 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -53.73 -51.79 62.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.89 -54.17 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.1 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -53.33 -45.97 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.98 -49.51 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 83' ' ' ALA . 11.6 mt -54.06 -52.33 61.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.2 mmt -63.08 -33.29 75.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.901 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 88' ' ' LEU . 1.5 tm? -61.17 -53.1 61.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.97 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.31 111.079 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.38 79.43 60.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 74.41 110.925 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.717 2.278 . . . . 71.34 112.361 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t -59.37 -21.29 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.9 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -19.33 46.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.33 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.5 142.76 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -50.78 147.6 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.871 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.509 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 21.4 mtm105 -153.35 160.66 30.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 73.24 110.86 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.3 Cg_endo -69.81 170.07 60.48 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 -1.813 . . . . 63.23 112.344 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 105' ' ' LEU . 92.2 t -123.88 127.89 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.57 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -107.54 122.42 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.887 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -108.53 140.71 41.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.899 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -172.58 127.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 53.99 27.56 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 73.03 110.893 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -45.1 3.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.761 -0.733 . . . . 31.54 112.577 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -61.71 128.12 34.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 41.15 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.721 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.3 tp -97.08 152.46 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.1 mtm -131.1 146.53 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.893 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.86 135.47 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 166.05 21.79 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.452 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -144.45 156.06 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 74.21 110.82 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -51.41 160.8 0.9 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 73.41 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 72.25 112.332 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.28 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.06 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.07 -49.18 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.995 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.65 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.988 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.55 -50.53 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 54.12 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -27.5 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -82.36 -41.43 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.925 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.87 -32.65 63.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.874 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -68.66 150.48 47.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.878 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.903 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 121.401 0.445 . . . . 53.12 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.76 12.53 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.681 2.254 . . . . 61.23 112.388 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.16 49.19 0.89 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.684 -0.769 . . . . 62.35 112.427 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -63.48 -53.0 58.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 72.23 110.887 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.84 97.44 10.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 62.03 110.921 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -113.84 131.1 56.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.31 110.887 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 33.4 t -104.89 148.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 54.24 111.092 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.461 HG23 ' HB ' ' A' ' 33' ' ' THR . 15.6 m -119.68 130.03 54.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 55.12 111.106 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -115.11 137.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 62.44 111.17 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -114.82 149.31 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 60.44 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.76 -158.42 20.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 61.14 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 14' ' ' ASN . 43.8 pt -144.8 174.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 72.24 111.096 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -102.9 26.24 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.923 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' A' ' 12' ' ' ILE . 49.4 t30 -122.91 24.82 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 43.33 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -138.68 178.16 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.09 -30.54 5.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 54.43 110.85 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -52.4 -34.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.165 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 74.7 mmm -62.71 -40.32 96.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.55 -51.5 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 54.5 110.909 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -62.12 -45.4 93.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 71.32 110.877 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -59.43 -51.94 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 53.12 111.149 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -56.82 -48.99 76.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.51 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -61.66 -37.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.069 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.81 -35.62 78.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -75.0 -51.35 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 70.24 110.961 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -31.78 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.895 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.24 -43.24 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -62.31 -17.13 57.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.819 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.85 22.66 20.13 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 61.3 112.512 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 25' ' ' LEU . 25.7 mt -107.43 146.58 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 74.32 111.173 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.91 109.56 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.875 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.01 142.72 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.926 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 8' ' ' THR . 3.3 m -82.96 113.38 20.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 70.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -77.17 120.47 22.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -125.13 122.6 37.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.792 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.65 132.6 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.919 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CD1' HD23 ' A' ' 42' ' ' LEU . 20.2 m-85 -68.72 -45.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.917 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -74.12 -48.07 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -56.07 -46.7 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.32 -74.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.828 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 163.76 10.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 54.13 112.501 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -138.19 113.53 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 61.22 110.909 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.3 176.81 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 53.01 110.863 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.79 -32.82 74.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 54.41 111.14 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.48 -48.27 81.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -47.1 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.124 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.33 -50.43 74.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 72.53 110.884 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.06 -46.56 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 70.5 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -55.18 -43.86 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.867 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 105' ' ' LEU . 20.6 m-85 -73.42 -32.3 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.43 -37.24 84.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 70.24 110.929 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.94 -38.53 79.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.94 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -78.82 -26.75 44.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -147.19 133.32 9.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 51.22 111.125 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.2 Cg_endo -69.86 147.02 61.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 74.41 112.38 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.683 ' O ' HD23 ' A' ' 60' ' ' LEU . 64.9 p-90 -52.99 -38.57 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.21 -26.31 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.837 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -118.65 26.81 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 105' ' ' LEU . 10.0 tp -132.73 13.57 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 61.44 110.938 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.25 149.43 30.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.895 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.571 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.01 140.44 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.864 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -112.27 -55.34 2.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.63 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 40.23 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.48 161.85 16.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 64.14 112.429 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.2 p -57.72 -31.8 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 74.54 111.168 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.01 111.08 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -75.15 -34.86 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.02 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -81.48 -4.26 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -60.39 -19.59 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.117 HD22 HG11 ' A' ' 74' ' ' VAL . 13.6 mt -117.46 156.53 49.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 75.04 110.901 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.74 177.4 5.61 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 72.42 112.355 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.37 -35.62 79.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.76 -51.76 63.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.844 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.117 HG11 HD22 ' A' ' 70' ' ' LEU . 77.9 t -60.81 -55.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.3 111.126 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.646 ' NH2' HG21 ' A' ' 78' ' ' VAL . 19.2 mmm180 -58.12 -23.59 55.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 70.2 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -78.44 -16.63 57.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.827 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -93.2 17.3 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 63.33 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.646 HG21 ' NH2' ' A' ' 75' ' ' ARG . 85.3 t -81.23 136.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 61.22 111.134 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -137.5 -179.16 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.883 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -61.76 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 60.14 111.125 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.58 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -51.12 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.871 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.3 -49.95 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.126 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -62.51 -35.24 78.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.94 -40.34 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.39 -42.74 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 33.3 mmt -72.24 -34.05 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.897 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.3 tm? -67.36 -57.87 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.63 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.136 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -131.54 74.52 78.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.691 . . . . 74.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.72 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 71.34 112.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 p -60.1 -25.4 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 60.53 110.846 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.4 mtt -80.79 -19.32 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 91' ' ' PRO . 93.2 t -51.75 136.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 75.05 111.115 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -52.02 163.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.932 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -176.93 159.58 1.5 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 73.24 110.898 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 52.8 Cg_endo -69.81 147.09 84.04 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 -1.786 . . . . 63.23 112.277 0.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' HD12 ' A' ' 99' ' ' LEU . 94.2 t -101.74 135.58 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 75.11 111.136 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 98' ' ' VAL . 10.6 mp -117.44 125.16 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.936 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -111.03 124.19 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -140.96 112.14 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.895 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.23 28.04 10.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.03 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -42.6 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 31.54 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -60.3 129.09 39.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 41.15 110.851 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 59' ' ' LEU . 6.8 tp -103.87 140.23 37.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.918 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.4 mtp -132.18 156.84 45.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.854 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.33 145.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.18 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.43 175.55 7.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.53 155.84 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 74.21 110.925 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -51.73 160.72 1.01 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.492 0.663 . . . . 73.41 110.95 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.89 0.62 Allowed 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.664 2.243 . . . . 72.25 112.356 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.92 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -69.27 -48.8 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.54 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.21 -48.66 75.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.935 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.39 -46.72 82.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.54 84.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 72.23 111.085 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.31 90.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.947 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.61 25.09 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.85 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -89.08 134.47 33.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 62.42 110.958 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 121.516 0.509 . . . . 53.12 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.44 48.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.794 2.329 . . . . 61.23 112.305 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.11 72.74 0.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 62.35 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 t -57.73 -51.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 72.23 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.78 174.89 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 62.03 110.903 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -134.68 144.63 47.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.843 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 99' ' ' LEU . 59.9 t -91.12 145.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 54.24 111.156 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -108.53 124.11 49.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 55.12 111.239 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.0 tt -114.7 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -109.53 157.8 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.843 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.97 -160.18 23.0 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.494 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.04 176.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 72.24 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -80.67 -56.16 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.8 73.57 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.2 149.2 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 62.11 110.856 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.38 -32.71 8.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 54.43 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 m -53.8 -45.02 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.53 111.097 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 81.6 mmm -51.8 -38.93 57.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.88 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.77 -51.53 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.5 110.898 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -64.84 -42.29 95.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 71.32 110.854 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.38 92.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 53.12 111.106 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -65.51 -49.38 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 70.51 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -57.42 -37.33 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.45 111.196 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -68.5 -55.14 12.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.41 -40.35 86.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -69.71 -45.53 68.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.956 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.87 -45.02 82.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.845 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.87 -17.03 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.57 18.77 34.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.493 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -107.54 148.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 74.32 111.085 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -114.5 121.5 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.849 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.56 153.29 27.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.947 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.59 108.26 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 70.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -78.45 118.98 21.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 74.4 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -124.48 105.18 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.891 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.75 132.34 34.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 70.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.707 ' CD1' HD23 ' A' ' 42' ' ' LEU . 32.9 m-85 -71.39 -30.56 66.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.934 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -74.55 -59.01 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 74.3 110.902 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -54.18 -47.49 71.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.923 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.873 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.03 99.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.466 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -66.22 130.83 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 61.22 110.936 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.632 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -118.06 166.74 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.01 110.863 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.22 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.05 -50.75 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 65.44 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -62.1 -49.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 73.34 111.139 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -54.36 -49.65 69.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.978 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.52 -47.08 86.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.5 110.85 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -55.51 -44.47 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.816 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 105' ' ' LEU . 23.2 m-85 -73.17 -27.71 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.22 -37.85 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.943 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.74 -44.99 63.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.885 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.521 HG21 ' O ' ' A' ' 103' ' ' GLY . 17.7 p -72.5 -33.01 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 105' ' ' LEU . 59.0 t -137.94 133.35 17.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 51.22 111.144 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 74.41 112.386 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 44.9 p-90 -56.41 -24.82 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.14 -32.72 74.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 74.32 110.949 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.41 28.99 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 105' ' ' LEU . 19.6 tp -114.82 -17.27 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 61.44 110.942 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -127.75 148.4 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.921 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.73 143.96 11.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.868 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -38.63 5.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.94 -22.92 18.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 40.23 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.36 146.43 15.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.465 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -51.58 -33.63 33.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 74.54 111.132 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 m -53.06 -37.08 61.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 75.01 111.115 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -78.32 -34.59 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 75.02 110.857 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -80.76 -3.92 52.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.815 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -59.94 -20.62 58.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -111.95 157.65 39.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.629 0.728 . . . . 75.04 110.917 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.72 179.24 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 72.42 112.385 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -71.5 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 64.42 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -73.53 -51.86 15.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 71' ' ' PRO . 75.9 t -58.22 -55.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 71.3 111.161 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' HG12 ' A' ' 78' ' ' VAL . 18.3 mmm180 -58.23 -24.93 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -78.1 -19.7 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.911 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.16 24.1 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 63.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 75' ' ' ARG . 11.5 p -88.59 135.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.11 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -142.94 -171.84 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.01 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.14 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.12 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 55.31 111.106 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -48.83 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.856 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -49.09 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.1 111.061 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -63.78 -36.83 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.51 -43.96 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.01 -48.61 75.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.535 ' HB3' HD21 ' A' ' 47' ' ' LEU . 32.2 mmt -66.88 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.833 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.0 tt -66.45 -48.03 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -48.17 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.061 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -125.67 76.81 70.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 74.41 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.574 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.77 -7.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 71.34 112.357 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -66.27 -11.26 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.53 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -79.7 -19.19 49.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.906 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.5 m -56.51 158.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.124 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -69.51 166.55 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 64.41 110.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -165.48 156.67 12.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 73.24 110.849 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.81 160.74 87.66 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.736 -1.777 . . . . 63.23 112.337 0.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.1 128.96 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 75.11 111.132 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 100' ' ' GLU . 5.3 tt -116.89 139.06 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.928 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.5 tm-20 -119.06 143.05 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -172.06 124.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 62.76 36.98 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.521 ' O ' HG21 ' A' ' 53' ' ' THR . . . 66.35 17.4 66.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 31.54 112.53 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 41.15 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.2 tp -96.98 140.77 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.3 mtm -130.34 149.26 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.898 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.94 142.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.154 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 171.82 10.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 74.34 112.504 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.78 156.03 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 74.21 110.929 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -55.02 159.26 3.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 73.41 110.981 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 72.25 112.378 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.73 80.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -72.16 -48.86 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.952 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -56.06 -42.9 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.881 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.57 -50.48 36.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.12 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.75 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.23 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -81.39 -56.31 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.88 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.929 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -84.83 130.7 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 73.12 110.849 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 62.42 110.937 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 121.518 0.51 . . . . 53.12 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -171.52 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 61.23 112.303 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.51 91.06 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 62.35 112.461 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 m -86.25 -34.97 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 72.23 110.878 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.13 168.61 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 62.03 110.865 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.3 p -140.18 150.43 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.848 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 31' ' ' ASP . 10.8 p -90.9 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 54.24 111.103 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 26.9 m -129.19 145.45 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 55.12 111.123 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 33' ' ' THR . 10.2 tt -115.15 137.98 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.092 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -110.13 133.87 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.0 -161.75 13.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.62 -0.8 . . . . 61.14 112.465 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 37' ' ' TYR . 38.9 pt -131.54 168.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 72.24 111.133 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -109.81 37.61 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -140.15 46.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 43.33 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.24 -178.43 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.11 110.877 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.16 -31.33 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 54.43 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -52.25 -42.4 63.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.53 111.073 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -38.63 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.34 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -56.8 -51.58 68.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 54.5 110.935 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.875 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -46.33 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 53.12 111.11 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -62.7 -49.28 75.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 70.51 110.847 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.42 -33.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.45 111.16 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -53.52 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.25 110.927 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -62.33 -35.53 79.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.939 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.65 -51.45 16.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.911 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -54.86 -45.77 74.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.41 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.64 -16.89 63.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.814 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 48.32 9.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.824 -0.703 . . . . 61.3 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 25' ' ' LEU . 74.6 mt -105.83 138.57 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 74.32 111.145 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 33.6 t70 -81.16 105.85 12.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.851 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.37 134.84 19.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.96 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 9' ' ' ILE . 3.1 m -89.24 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -90.21 124.51 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 8' ' ' THR . 0.3 OUTLIER -128.19 124.0 35.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.838 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.79 151.41 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 70.42 110.819 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.692 ' CD1' HG22 ' A' ' 12' ' ' ILE . 10.3 p90 -57.85 -33.03 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.95 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -87.04 -53.12 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.935 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -53.99 -47.39 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 74.4 110.875 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.75 -24.84 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 71.13 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.63 97.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 54.13 112.435 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -79.12 110.07 14.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 61.22 110.898 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -107.43 176.77 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 53.01 110.845 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -60.54 -42.68 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 54.41 111.171 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.93 -50.59 66.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 65.44 110.876 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.43 -50.8 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.159 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.28 -44.91 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.864 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -63.5 -50.1 70.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.863 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -55.26 -39.14 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.836 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.6 m-85 -72.98 -36.65 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.14 110.899 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -65.21 -37.32 86.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.909 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -67.9 -40.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.917 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -76.71 -30.9 56.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 72.44 111.118 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -142.24 133.33 12.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 51.22 111.146 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.3 Cg_endo -69.81 146.93 61.4 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.77 2.313 . . . . 74.41 112.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -54.8 -28.58 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.954 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.64 -32.39 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.87 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -122.31 29.01 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.93 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 54' ' ' VAL . 6.5 tp -121.34 -40.68 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.901 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -99.1 146.19 26.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.44 110.888 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.67 144.3 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.874 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.63 -44.57 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.832 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.68 -21.76 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 40.23 111.096 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.19 176.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 64.14 112.478 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 p -80.46 -35.66 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 74.54 111.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 p -53.13 -46.73 68.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.01 111.144 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -73.69 -35.01 65.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 75.02 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -63.86 -18.49 64.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 73.52 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -60.92 -52.58 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.844 HD22 HG11 ' A' ' 74' ' ' VAL . 41.8 mt -61.65 156.21 55.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 75.04 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.84 179.12 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.605 2.203 . . . . 72.42 112.374 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -71.35 -31.31 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 64.42 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.44 -51.59 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.821 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.844 HG11 HD22 ' A' ' 70' ' ' LEU . 94.2 t -66.63 -40.72 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.3 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.42 -29.03 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.0 -18.02 19.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.869 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -92.94 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 63.33 110.854 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.76 131.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.118 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -120.02 178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.874 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.98 -59.84 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 60.14 111.066 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -57.25 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 55.31 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -49.91 67.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.853 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.44 60.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 62.1 111.082 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.2 -42.94 92.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.61 -47.59 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.885 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.91 -53.62 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.32 -32.62 74.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.819 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 44' ' ' ALA . 9.9 tt -61.39 -53.92 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 -48.22 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.105 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -122.58 79.18 47.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 74.41 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 71.34 112.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 p -58.45 -20.74 47.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 60.53 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 mtp -80.35 -19.26 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.33 110.937 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 143.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.05 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -51.15 162.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.927 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.531 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 3.0 ptt-85 -174.71 155.82 2.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 73.24 110.825 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.5 Cg_endo -69.83 154.51 93.49 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 -1.806 . . . . 63.23 112.296 0.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.706 HG22 ' HD2' ' A' ' 95' ' ' LYS . 95.2 t -114.99 126.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.086 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -112.34 119.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.2 110.889 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.94 114.28 28.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.962 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -122.04 111.21 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.82 33.34 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.03 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.25 -41.41 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 31.54 112.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -60.74 133.88 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 41.15 110.854 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 50' ' ' PHE . 6.7 tp -99.54 134.03 43.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.948 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.02 141.83 49.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.852 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.671 HG12 ' HD3' ' A' ' 95' ' ' LYS . 22.6 m -92.17 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.01 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.77 164.72 26.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 74.34 112.496 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -143.0 155.63 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 74.21 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -52.33 160.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 73.41 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 72.25 112.326 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.095 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -69.45 -49.8 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.54 110.962 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.36 -40.27 67.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.933 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.58 -50.24 39.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 54.12 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.79 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -82.44 -39.92 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.91 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.11 -31.27 63.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -77.45 128.25 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.964 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.412 0.451 . . . . 53.12 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.26 62.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 61.23 112.319 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.21 88.08 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.811 -0.709 . . . . 62.35 112.467 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.5 m -69.38 -39.96 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.896 0.379 . . . . 72.23 110.893 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.71 160.94 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 62.03 110.866 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -84.78 141.22 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.83 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.87 145.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 54.24 111.175 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.41 HG23 ' HB ' ' A' ' 33' ' ' THR . 19.7 m -108.95 126.06 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 55.12 111.125 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tt -114.86 137.8 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 62.44 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -113.13 149.67 33.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.17 -162.29 25.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 61.14 112.445 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 pt -144.47 144.17 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 72.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -74.82 -11.08 60.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.937 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.19 39.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 43.33 110.897 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.0 t -157.08 121.76 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 62.11 110.879 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.846 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -51.8 -42.69 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.151 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.885 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 23' ' ' ILE . 19.9 ttmt -52.77 -51.21 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 54.5 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -53.72 -50.46 65.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.954 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -51.99 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 53.12 111.119 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.47 -49.14 78.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.851 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 19' ' ' LYS . 25.5 mt -58.46 -34.32 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.45 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -69.29 -50.1 49.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.75 -46.89 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.866 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.86 -36.11 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.3 -45.47 94.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -66.5 -16.98 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 25.15 14.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 61.3 112.535 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.2 mt -107.11 149.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.875 0.369 . . . . 74.32 111.137 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.91 110.52 21.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.842 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -115.23 152.21 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.01 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.41 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -82.58 108.2 15.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 70.0 111.11 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.11 118.04 19.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -123.68 116.06 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.865 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.53 132.95 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 70.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.521 ' HD1' HD23 ' A' ' 42' ' ' LEU . 13.1 m-85 -71.31 -34.87 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.89 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -50.36 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -54.19 -47.46 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.905 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.85 -25.89 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.9 111.16 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 54.13 112.518 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.88 112.47 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 61.22 110.875 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -104.32 176.5 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 53.01 110.877 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.44 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.41 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.6 -48.42 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.44 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -47.91 67.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -57.68 -50.72 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.858 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.09 -50.12 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 70.5 110.841 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -55.09 -44.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.874 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.65 -30.89 67.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.927 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -67.78 -40.87 83.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 70.24 110.856 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -67.86 -49.42 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 p -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 72.44 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -143.45 133.32 11.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 51.22 111.06 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.4 Cg_endo -69.75 140.74 43.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 74.41 112.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HB3' HD21 ' A' ' 51' ' ' LEU . 58.6 p-90 -55.44 -27.4 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 72.32 110.917 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.82 -26.72 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.913 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -121.93 29.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.3 tp -131.34 4.02 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 61' ' ' ASN . 2.0 pp -148.07 130.47 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.634 ' O ' HD12 ' A' ' 60' ' ' LEU . 7.5 p-10 -51.05 143.96 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.911 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -29.85 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.87 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.55 29.75 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 40.23 111.175 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.488 ' HA3' HD21 ' A' ' 61' ' ' ASN . . . -115.97 168.55 12.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.704 -0.76 . . . . 64.14 112.46 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -53.0 -31.49 41.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 74.54 111.1 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -52.79 -51.31 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 75.01 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -66.55 -34.43 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -76.54 -6.26 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.9 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -64.18 -52.74 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.49 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -84.45 158.91 59.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.708 . . . . 75.04 110.924 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.84 179.58 3.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 72.42 112.337 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.39 -27.21 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.895 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.8 -51.86 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.834 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 71' ' ' PRO . 76.1 t -59.8 -47.93 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 71.3 111.101 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -66.4 -22.8 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -78.07 -22.81 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -94.95 22.07 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.13 130.57 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.144 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -142.04 -174.56 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.72 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.099 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.35 -58.22 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 55.31 111.136 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -45.15 71.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 73.02 110.906 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -53.76 -49.08 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 62.1 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -61.78 -45.19 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.09 -42.64 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 75.34 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.3 mt -61.54 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 74.11 110.912 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 47' ' ' LEU . 31.7 mmt -61.41 -32.73 72.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.868 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.53 -48.46 72.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 71.42 110.901 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.17 -48.2 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.1 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.42 78.63 54.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 74.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.87 -7.75 21.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 71.34 112.322 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -63.94 -15.42 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.53 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.87 -19.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 71.33 110.926 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 91' ' ' PRO . 90.4 t -55.35 133.78 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.05 111.093 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.661 ' HD3' HG13 ' A' ' 107' ' ' VAL . 18.9 ptpt -56.66 158.62 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.903 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.2 ptp85 -169.97 159.38 6.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 73.24 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.66 161.22 86.33 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.743 -1.774 . . . . 63.23 112.412 -0.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.643 HG11 HD21 ' A' ' 105' ' ' LEU . 63.2 t -123.48 143.48 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.08 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mp -121.8 143.61 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -121.1 144.62 48.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 64.22 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -171.25 119.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.93 32.88 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.867 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.22 -45.08 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 31.54 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.84 130.45 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 41.15 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.643 HD21 HG11 ' A' ' 98' ' ' VAL . 7.4 tp -98.17 150.85 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 75.31 110.938 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 ttm -124.79 143.31 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.903 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.661 HG13 ' HD3' ' A' ' 95' ' ' LYS . 41.2 t -92.09 135.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.01 111.168 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.45 171.01 11.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 74.34 112.487 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -145.56 153.71 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 74.21 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -52.65 161.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 73.41 110.955 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 -48.46 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 72.25 112.355 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.77 92.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.11 -48.83 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 63.54 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.56 -47.09 76.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.997 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -47.49 78.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 54.12 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.82 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 72.23 111.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -29.95 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.856 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.75 -26.12 44.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.08 131.29 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.855 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.42 111.0 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.401 0.445 . . . . 53.12 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 112.71 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.745 2.297 . . . . 61.23 112.343 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.95 59.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 62.35 112.464 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -66.19 -27.67 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 72.23 110.845 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.0 ttp -95.63 104.21 16.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 62.03 110.88 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.53 155.37 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.791 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 32' ' ' TYR . 14.7 p -127.02 132.89 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 54.24 111.088 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.5 m -115.79 134.62 54.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 55.12 111.059 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 33' ' ' THR . 11.2 tt -114.62 137.72 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.168 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -111.52 133.75 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 60.44 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.89 -163.67 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 61.14 112.552 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 pt -136.46 176.59 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 72.24 111.125 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -93.58 -25.67 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.927 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -86.07 55.07 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 43.33 110.913 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -157.13 138.08 13.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.821 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -35.64 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 54.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -43.28 61.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.108 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mmm -51.7 -47.11 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.862 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -50.86 -51.63 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 54.5 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -61.09 -40.01 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.915 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.6 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 53.12 111.087 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.09 86.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.51 110.883 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -56.35 -38.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.11 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -69.43 -55.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.21 -42.26 81.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 70.24 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.23 -46.89 78.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -59.02 -38.59 79.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -71.91 -16.95 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.849 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 31.39 23.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 61.3 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mt -107.48 149.17 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.32 111.122 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.43 132.74 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.877 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.542 ' CE1' HG11 ' A' ' 7' ' ' VAL . 4.2 m-85 -139.83 137.98 35.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 70.01 110.885 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -83.3 110.08 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.13 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.84 117.09 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.852 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.51 123.51 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.22 132.35 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -57.03 -40.56 76.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.969 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -50.44 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.876 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -54.58 -47.31 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.873 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.42 -51.69 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.86 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 117.23 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.499 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.71 125.65 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 61.22 110.962 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.0 177.08 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 53.01 110.906 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.38 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.068 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -51.31 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 65.44 110.913 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -58.73 -50.09 75.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.161 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.35 -54.74 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.927 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.55 -47.68 69.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 70.5 110.884 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -56.86 -42.65 80.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.873 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -71.27 -27.55 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.951 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -59.1 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 70.24 110.924 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -55.14 -30.11 59.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.6 m -84.4 -32.54 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.44 111.149 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.4 t -147.85 133.27 9.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 51.22 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.8 Cg_endo -69.73 139.14 39.6 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.742 2.295 . . . . 74.41 112.413 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -54.89 -26.64 37.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 72.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.88 -32.62 66.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.45 27.57 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 73.33 110.867 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' HB ' ' A' ' 54' ' ' VAL . 5.4 tp -115.59 -30.04 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -117.12 148.63 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.942 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.97 142.05 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 71.33 110.905 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -106.64 -28.51 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.84 29.62 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.062 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.34 158.4 18.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.446 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -60.01 -31.84 70.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 74.54 111.144 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.7 p -53.69 -48.3 69.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.17 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -68.59 -36.76 79.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.93 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -77.29 -4.6 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.92 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.73 -36.63 79.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.082 HD22 HG11 ' A' ' 74' ' ' VAL . 12.9 mt -99.63 156.54 35.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 75.04 110.869 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.72 -177.65 1.96 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 72.42 112.352 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.4 -38.75 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 64.42 110.852 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -51.59 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.082 HG11 HD22 ' A' ' 70' ' ' LEU . 95.6 t -64.72 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -69.89 -25.41 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.0 t -77.97 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.3 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.67 26.01 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.79 132.34 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 61.22 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.99 179.83 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.81 66.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 60.14 111.101 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -58.34 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 55.31 111.114 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -54.01 -50.36 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.837 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.48 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 62.1 111.069 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -56.61 -44.61 81.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.12 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.14 -43.91 78.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.805 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.21 -36.49 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.835 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.73 -58.22 9.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.901 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.12 59.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.31 111.099 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -114.31 73.74 2.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 74.41 110.928 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.573 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.75 -14.59 36.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 71.34 112.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.7 p -66.89 -11.06 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.1 mtp -80.14 -15.3 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.871 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.8 m -60.99 165.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.05 111.084 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -78.6 165.08 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.847 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -174.61 154.94 1.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.643 0.735 . . . . 73.24 110.886 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.5 Cg_endo -69.76 157.02 92.5 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 -1.801 . . . . 63.23 112.39 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.447 HG11 HD11 ' A' ' 105' ' ' LEU . 97.0 t -120.81 135.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.51 124.19 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 64.2 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -108.22 130.33 55.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.988 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -160.48 116.39 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.49 49.87 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.808 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 60.84 21.81 59.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 31.54 112.53 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -113.14 124.57 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 41.15 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.447 HD11 HG11 ' A' ' 98' ' ' VAL . 5.2 tp -100.73 126.81 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.897 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttm -121.26 140.17 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.891 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.3 142.15 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 75.01 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.47 169.55 14.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 74.34 112.5 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -141.78 155.06 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 74.21 110.889 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -53.98 160.69 2.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.514 0.673 . . . . 73.41 110.917 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.59 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.612 2.208 . . . . 72.25 112.412 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.34 82.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.15 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -70.66 -47.66 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 63.54 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.48 -42.43 78.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.906 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.64 -46.8 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.78 -48.25 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.038 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -47.22 71.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 72.22 110.948 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -59.23 -26.39 64.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -85.61 124.1 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.874 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.941 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.437 0.465 . . . . 53.12 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.74 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 61.23 112.315 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.44 118.51 4.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 62.35 112.413 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -89.49 -34.17 16.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 72.23 110.88 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ttm 53.72 55.03 9.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -121.28 162.74 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.867 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.7 t -104.98 144.17 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 54.24 111.153 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.5 m -106.51 127.46 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 55.12 111.082 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.81 137.57 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 62.44 111.131 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.9 157.97 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 60.44 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.06 -161.58 25.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.441 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 pt -140.65 176.57 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 72.24 111.091 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -80.58 -54.82 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -74.56 74.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -157.07 157.36 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.842 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.39 -29.17 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 54.43 110.852 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -43.09 97.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.081 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 82.5 mmm -51.93 -36.41 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.807 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -61.48 -51.39 68.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 54.5 110.813 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -60.19 -46.88 88.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.62 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 53.12 111.052 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.98 -48.97 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.51 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.5 -37.04 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 74.45 111.092 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -66.72 -55.9 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.4 mm? -59.85 -41.55 91.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 70.24 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.99 -41.2 82.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.08 -45.92 92.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.74 -17.06 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.827 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.29 16.29 27.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 61.3 112.478 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.35 148.35 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 111.129 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.26 124.23 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.933 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.6 156.4 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.896 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.47 107.15 17.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 70.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.14 116.49 17.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.829 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.12 123.77 40.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.35 126.63 46.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CD1' HD23 ' A' ' 42' ' ' LEU . 35.9 m-85 -60.13 -37.4 79.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.947 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -74.29 -58.14 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -54.33 -47.44 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.894 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -68.85 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.13 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.47 98.25 1.27 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.855 -0.688 . . . . 54.13 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -80.53 126.85 31.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 61.22 110.958 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.55 ' N ' HD13 ' A' ' 42' ' ' LEU . 15.9 t0 -118.3 176.19 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 53.01 110.898 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -61.0 -46.89 88.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 54.41 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.98 -48.54 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 65.44 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.667 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.1 -51.35 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.113 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.6 OUTLIER -53.29 -51.34 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.961 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.82 -49.41 77.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.5 110.823 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -59.42 -30.59 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.52 110.899 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.9 m-85 -73.29 -48.61 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -64.02 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.24 110.865 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -66.17 -24.42 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.892 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 103' ' ' GLY . 18.1 m -96.16 -32.43 12.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.11 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 59' ' ' LEU . 57.5 t -133.55 133.34 22.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 51.22 111.13 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.73 137.1 34.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.731 2.287 . . . . 74.41 112.386 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 51' ' ' LEU . 63.7 p-90 -52.47 -29.57 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.968 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -56.25 -34.24 66.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.85 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -123.06 28.82 7.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 73.33 110.889 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 54' ' ' VAL . 2.3 tt -114.25 -24.73 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.933 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 61' ' ' ASN . 3.0 pp -116.62 149.76 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.951 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.57 143.82 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.936 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -45.67 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.94 29.56 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 40.23 111.106 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.62 148.08 18.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.493 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -51.56 -31.74 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 74.54 111.199 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.198 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.12 -34.57 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -76.34 -5.32 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.59 -28.32 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.87 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.546 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -91.31 159.0 40.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 75.04 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.84 178.94 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.641 2.228 . . . . 72.42 112.43 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -71.23 -30.13 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 64.42 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.23 -46.53 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.843 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 HD12 ' A' ' 70' ' ' LEU . 83.7 t -72.37 -37.0 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 71.3 111.123 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -69.76 -25.44 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -96.2 -24.85 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.906 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -97.0 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 63.33 110.872 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.43 130.95 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.168 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -178.97 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.864 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.96 -56.89 11.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 60.14 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.33 -56.6 12.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.083 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -47.59 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.819 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.46 -54.36 27.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.1 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -57.35 -46.92 82.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.798 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.96 -44.86 91.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.15 -54.32 48.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.585 ' HB3' HD21 ' A' ' 47' ' ' LEU . 30.2 mmt -59.09 -32.79 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 72.4 110.876 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.1 tp -65.83 -48.09 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.41 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.111 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 82.16 54.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.75 -5.35 16.0 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.726 2.284 . . . . 71.34 112.33 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -63.93 -14.18 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.814 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -17.77 53.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.899 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 91' ' ' PRO . 85.3 t -55.6 138.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.125 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -51.53 168.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -172.88 154.98 2.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.723 . . . . 73.24 110.889 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.1 Cg_endo -69.73 164.91 77.93 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 -1.798 . . . . 63.23 112.373 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.43 132.18 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.172 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -116.05 130.34 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -105.01 135.44 46.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 64.22 110.891 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -160.97 125.64 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.866 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t70 55.78 27.8 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' HG21 ' A' ' 53' ' ' THR . . . 80.04 18.07 73.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.804 -0.713 . . . . 31.54 112.572 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -119.41 139.7 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 41.15 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.84 144.11 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.975 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 57.2 tpp -131.34 143.98 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.08 137.56 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.01 111.167 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.46 171.1 11.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 74.34 112.446 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -135.27 155.99 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 74.21 110.887 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -52.98 160.46 1.5 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.541 0.686 . . . . 73.41 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 72.25 112.331 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.23 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.34 -47.66 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 63.54 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.8 -42.78 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.944 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.42 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 54.12 110.879 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.02 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.043 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -81.47 -39.85 24.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.01 -35.06 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 73.25 110.89 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.03 128.12 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.92 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 121.448 0.471 . . . . 53.12 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -171.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 61.23 112.37 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.71 62.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.716 . . . . 62.35 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -83.3 -50.56 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 72.23 110.82 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.1 ttm 56.05 66.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 62.03 110.839 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -81.35 139.36 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.835 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 96.5 t -106.1 134.83 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 54.24 111.096 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -108.12 127.37 53.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 55.12 111.188 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -114.71 137.48 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 62.44 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.07 139.22 47.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 60.44 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.94 -166.77 16.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 61.14 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.67 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.3 pt -130.16 176.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 72.24 111.131 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -95.88 -25.45 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.899 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.4 59.13 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 43.33 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 12' ' ' ILE . 9.9 t -155.49 156.46 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.11 110.895 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -32.85 6.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 54.43 110.88 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -51.82 -29.77 20.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.152 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 mtp -55.49 -45.16 77.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 54.5 110.947 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -62.66 -45.55 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.905 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -47.64 81.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 53.12 111.084 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.79 -49.08 77.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 70.51 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mt -58.11 -36.41 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.45 111.061 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.9 -55.63 12.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.894 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.13 -43.25 95.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 70.24 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -43.27 90.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.83 -43.58 98.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.954 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -65.67 -16.94 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.795 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.82 12.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 61.3 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.33 142.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.32 111.15 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -91.38 107.93 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.825 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.626 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.96 130.1 56.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 70.01 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -85.49 114.39 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 70.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.16 117.66 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.913 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.04 123.05 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.07 140.89 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.67 ' CD1' HG22 ' A' ' 12' ' ' ILE . 30.4 p90 -51.73 -32.91 32.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.989 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -85.68 -46.37 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.3 110.874 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -54.11 -47.44 71.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 74.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.44 -25.22 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.883 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 97.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 54.13 112.442 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.94 110.16 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 61.22 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.48 176.37 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.914 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -55.65 -42.71 75.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 54.41 111.02 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.08 -51.41 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 65.44 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.01 -51.28 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 73.34 111.147 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.5 OUTLIER -54.8 -46.47 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.91 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -59.71 -51.9 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -56.99 -37.09 71.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CD1' HD22 ' A' ' 105' ' ' LEU . 18.1 m-85 -73.38 -31.61 64.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -52.56 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -58.15 -26.88 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.917 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 m -88.33 -30.35 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.207 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.7 t -148.59 133.24 8.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 51.22 111.149 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.433 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.76 139.16 39.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 74.41 112.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -52.8 -29.71 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.907 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.25 -32.52 48.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.885 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -120.64 25.69 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 54' ' ' VAL . 7.3 tp -116.99 -28.2 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 61.44 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -116.45 149.52 39.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.907 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.04 143.07 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.887 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -106.45 -56.61 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.907 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.68 25.88 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 40.23 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.39 162.42 26.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 64.14 112.433 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.8 p -64.77 -34.13 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 74.54 111.132 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -41.41 65.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.01 111.169 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.07 -35.36 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -73.65 -12.7 60.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.98 72.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 74' ' ' VAL . 7.8 mp -86.08 157.91 56.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 75.04 110.891 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 179.38 3.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.649 2.232 . . . . 72.42 112.327 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.36 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.9 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.41 -51.69 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.846 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.724 HG12 HD23 ' A' ' 70' ' ' LEU . 76.5 t -65.64 -30.61 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.072 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -74.79 -25.55 59.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -94.17 -24.99 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.3 110.881 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.13 36.57 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 63.33 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 ' OG ' ' A' ' 82' ' ' SER . 11.5 p -101.36 130.62 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 61.22 111.177 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.33 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.21 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.14 111.126 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.74 -58.38 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 55.31 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.82 -52.1 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.863 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.18 -50.62 58.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 62.1 111.084 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -60.79 -35.43 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.29 -44.04 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 82' ' ' SER . 4.2 mm? -61.41 -45.7 93.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.928 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.514 ' CB ' HD21 ' A' ' 47' ' ' LEU . 36.7 mmt -72.48 -32.97 66.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.894 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 44' ' ' ALA . 7.4 tt -62.11 -58.43 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.92 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.453 ' N ' HD23 ' A' ' 88' ' ' LEU . . . -75.05 -46.09 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 72.31 111.043 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.39 75.92 2.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 74.41 110.893 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.83 -8.29 23.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 71.34 112.354 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 t -63.49 -16.39 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 60.53 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -19.41 46.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.943 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 91' ' ' PRO . 42.5 t -60.46 148.92 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.05 111.116 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -67.99 122.33 17.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.52 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 7.7 mmm180 -123.36 157.39 61.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 73.24 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.74 176.68 31.55 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.793 . . . . 63.23 112.378 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.427 HG13 ' HG ' ' A' ' 105' ' ' LEU . 95.2 t -129.28 134.7 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.66 121.75 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.2 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.82 123.48 50.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -171.67 141.6 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.762 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 53.76 35.86 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.877 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.0 17.11 50.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 31.54 112.45 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -119.66 125.62 49.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.344 . . . . 41.15 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.0 tp -96.7 135.81 38.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.969 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.4 tpp -126.78 145.66 50.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.87 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.93 140.29 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.091 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.4 131.57 44.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.491 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.96 156.12 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 74.21 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -51.9 159.09 1.47 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.581 0.705 . . . . 73.41 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -48.63 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.628 2.219 . . . . 72.25 112.39 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.38 78.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.114 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.87 -48.04 40.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.38 -43.29 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.929 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.56 -50.49 36.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 54.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.24 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.177 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.68 -38.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.956 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -96.4 30.21 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 175.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.896 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 62.42 110.886 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 121.479 0.488 . . . . 53.12 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 167.31 24.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 61.23 112.291 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.67 100.61 2.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 62.35 112.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -85.41 -48.12 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 72.23 110.853 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 mtt -84.01 146.36 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.03 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -133.04 167.76 19.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.851 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 52.9 t -120.05 142.34 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 54.24 111.106 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' HB ' ' A' ' 33' ' ' THR . 94.7 m -120.4 135.03 55.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 55.12 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.78 137.48 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 62.44 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -113.35 143.88 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 60.44 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.27 12.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 61.14 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.761 HG22 ' CD1' ' A' ' 37' ' ' TYR . 41.8 pt -129.04 176.29 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 72.24 111.14 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.44 31.42 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.928 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.43 25.92 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 43.33 110.865 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.9 p -127.04 -174.04 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.905 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.16 -31.44 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 54.43 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -55.06 -54.59 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 64.53 111.142 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mmm -51.93 -40.44 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -56.12 -51.52 67.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 54.5 110.89 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -61.2 -46.79 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 53.12 111.059 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.95 -48.94 78.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 70.51 110.945 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.36 -35.98 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.76 -55.9 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.93 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 30' ' ' ILE . 4.5 mm? -58.56 -46.09 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.922 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.81 -49.35 75.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.925 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.22 -46.12 72.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.918 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.57 -16.98 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.04 41.74 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 61.3 112.506 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 25' ' ' LEU . 21.6 mm -104.09 152.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 74.32 111.111 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.57 96.4 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.874 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.55 130.86 56.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.863 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.583 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.6 OUTLIER -87.56 118.79 27.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 70.0 111.138 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -77.05 111.19 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.847 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.99 114.34 22.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.817 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.05 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.42 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.5 p90 -51.93 -32.35 32.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.924 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.96 -47.05 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -54.18 -46.71 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 74.4 110.89 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -82.88 -51.25 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.6 171.26 25.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 54.13 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -141.23 134.0 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 61.22 110.869 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HD13 ' A' ' 42' ' ' LEU . 4.9 m-20 -124.75 162.34 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 53.01 110.918 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.02 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.135 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.86 -51.21 70.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.617 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -65.3 -51.23 62.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 73.34 111.126 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.67 -50.06 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.883 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.03 -52.54 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.5 110.833 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.9 -32.13 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.89 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.691 ' CE1' HD22 ' A' ' 105' ' ' LEU . 4.1 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.853 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.83 -38.79 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 70.24 110.845 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.46 -50.57 36.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.932 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -67.66 -27.22 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -148.5 133.33 9.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 51.22 111.066 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.71 144.27 53.74 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.68 2.254 . . . . 74.41 112.336 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -52.6 -30.78 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.96 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.7 -31.7 48.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -119.69 26.37 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 73.33 110.966 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.66 -21.86 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 61.44 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.1 pp -123.23 147.82 46.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.933 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.625 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -51.0 143.98 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.852 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -36.34 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.854 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.96 -23.18 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 40.23 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.87 150.22 9.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 64.14 112.525 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.0 p -52.64 -32.55 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 74.54 111.163 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -39.03 62.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.159 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -77.87 -35.65 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.74 -4.38 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.836 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 70' ' ' LEU . 24.6 tttp -60.19 -23.33 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.931 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 74' ' ' VAL . 6.1 mp -119.35 155.6 53.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 75.04 110.978 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.71 155.78 65.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 72.42 112.363 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.4 -32.29 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.44 -51.63 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.851 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 70' ' ' LEU . 55.6 t -67.7 -30.71 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.167 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 78' ' ' VAL . 19.3 mmm180 -73.82 -35.62 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.2 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -66.05 -14.64 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.905 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -78.68 -15.23 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 63.33 110.943 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 75' ' ' ARG . 12.2 p -51.86 134.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -141.41 -179.02 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.02 110.799 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.53 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 60.14 111.109 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.57 -53.55 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.12 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -53.85 -51.09 64.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.8 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.44 -53.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.1 111.131 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -54.41 -46.53 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.896 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.5 mt -59.09 -50.02 75.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.943 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.708 ' HB2' HD21 ' A' ' 47' ' ' LEU . 35.1 mmt -66.53 -32.61 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.949 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.27 -48.42 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.31 111.135 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.32 78.73 67.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 74.41 110.839 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.76 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 71.34 112.347 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.681 ' OG ' HG21 ' A' ' 12' ' ' ILE . 6.5 t -66.64 -11.04 51.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 60.53 110.868 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -16.06 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 71.33 110.853 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 91' ' ' PRO . 23.8 m -56.67 165.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.05 111.094 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.647 ' HD3' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -65.46 173.9 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 64.41 110.901 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 9.3 ptt85 -179.74 159.31 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 73.24 110.811 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.76 140.6 61.53 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 63.23 112.326 -0.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 95' ' ' LYS . 84.9 t -95.39 126.77 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.126 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.43 122.65 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.2 110.938 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.663 ' HG3' HD12 ' A' ' 105' ' ' LEU . 3.4 tt0 -107.51 143.14 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.832 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -150.31 110.33 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 74.21 110.867 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t0 59.45 28.01 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.869 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.04 -37.42 3.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.466 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -65.99 132.88 49.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 41.15 110.862 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -103.9 141.09 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.959 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.8 ttm -134.8 153.59 51.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.848 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.639 HG12 ' HG3' ' A' ' 95' ' ' LYS . 19.9 m -91.75 135.36 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.197 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 178.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -141.2 155.79 46.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.984 0.421 . . . . 74.21 110.885 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.47 159.21 1.71 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.628 0.727 . . . . 73.41 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 72.25 112.36 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 74.33 111.12 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -70.25 -48.2 57.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.54 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.51 -42.67 74.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.48 -46.82 63.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.35 89.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.104 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -35.96 67.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.899 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -96.56 30.42 2.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.968 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -92.33 137.21 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 73.12 110.919 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 62.42 110.914 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.485 0.491 . . . . 53.12 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.08 26.95 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.704 2.269 . . . . 61.23 112.384 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.59 76.42 0.15 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 62.35 112.465 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -70.98 -56.29 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.23 110.868 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.6 mmt -141.33 166.94 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 62.03 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -145.08 178.48 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 t -130.54 139.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 54.24 111.134 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.77 138.65 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 55.12 111.194 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 33' ' ' THR . 10.5 tt -114.71 138.54 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.44 111.066 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.0 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 60.44 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.55 -155.48 7.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.449 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 pt -137.18 176.47 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 72.24 111.186 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -92.14 -25.62 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.893 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -99.35 68.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 43.33 110.872 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 t -156.95 112.39 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 62.11 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -46.12 87.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 54.43 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -51.54 -44.81 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.53 111.154 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.5 mmm -52.94 -45.21 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.818 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -51.79 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -59.82 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.92 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -58.96 -47.99 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.096 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -49.09 79.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.852 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.73 -34.67 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.45 111.136 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -41.15 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -70.08 -50.44 40.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.969 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.4 -35.48 79.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -69.03 -46.77 67.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -66.22 -16.01 63.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 71.45 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.64 41.22 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 61.3 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 25' ' ' LEU . 86.1 mt -102.87 139.33 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 74.32 111.159 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -81.12 130.23 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.882 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -173.29 135.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.939 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 9' ' ' ILE . 94.9 m -91.5 135.12 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -83.05 110.1 17.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.829 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -116.71 123.71 47.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.927 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.06 149.16 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 70.42 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.542 ' HD1' HD23 ' A' ' 42' ' ' LEU . 14.6 m-85 -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -77.13 -49.53 15.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -47.53 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.857 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -81.38 -26.01 35.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.49 139.29 9.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 54.13 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -123.19 117.57 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.333 . . . . 61.22 110.899 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 165.92 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 53.01 110.892 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 88' ' ' LEU . . . -52.58 -41.51 63.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 54.41 111.065 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.52 -50.62 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.44 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.52 -48.86 73.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.179 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -50.29 68.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 72.53 110.869 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.9 -43.93 97.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 70.5 110.874 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -55.13 -46.57 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.918 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 105' ' ' LEU . 29.8 m-85 -72.43 -31.66 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.863 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.24 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.877 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -68.58 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.879 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 m -80.18 -27.42 38.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.148 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.613 ' HB ' HD13 ' A' ' 59' ' ' LEU . 59.7 t -145.55 133.23 10.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 51.22 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.3 Cg_endo -69.68 146.06 59.53 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.736 2.291 . . . . 74.41 112.411 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.668 ' O ' HD23 ' A' ' 60' ' ' LEU . 58.5 p-90 -52.33 -42.1 63.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.877 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -52.0 -30.1 23.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -117.66 26.79 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD13 ' HB ' ' A' ' 54' ' ' VAL . 12.2 tp -132.89 13.46 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 61.44 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.34 147.05 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.874 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.75 141.75 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.929 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 -47.17 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.825 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.97 -19.41 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 40.23 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.41 152.93 6.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 64.14 112.46 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -58.83 -31.86 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 74.54 111.12 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -48.74 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.01 111.159 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -70.04 -34.71 73.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.877 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -76.93 -5.11 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 73.52 110.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.91 -39.37 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -91.9 158.91 39.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 75.04 110.893 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 72.42 112.337 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -71.49 -34.26 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 64.42 110.79 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -66.32 -51.69 54.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.851 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 71' ' ' PRO . 77.0 t -61.67 -35.96 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 71.3 111.136 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -78.31 -24.73 46.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 70.2 110.846 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.9 t -86.65 -24.06 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.815 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.51 24.65 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.8 t -82.8 135.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 61.22 111.109 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.54 178.32 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.873 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 60.14 111.096 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.09 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 55.31 111.125 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -40.85 68.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.852 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 62.1 111.053 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -41.47 96.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.914 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.34 -46.7 75.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.951 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.15 -48.83 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.86 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.5 tt -64.83 -58.09 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 71.42 110.955 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -25.49 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 72.31 111.116 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -133.26 74.04 73.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 74.41 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 71.34 112.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p -58.56 -22.4 55.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 60.53 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -19.38 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.925 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.01 139.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.05 111.114 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 159.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 64.41 110.89 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -173.67 154.34 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.24 110.855 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.0 Cg_endo -69.7 166.17 74.58 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 63.23 112.345 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -129.15 128.53 67.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.075 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -111.86 119.9 40.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 64.2 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.58 138.11 39.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.926 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -174.85 141.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.886 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.01 36.76 27.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.813 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.55 16.04 54.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 31.54 112.53 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -119.67 138.91 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 41.15 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 50' ' ' PHE . 10.2 tp -97.63 130.1 44.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.941 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 38.5 tpp -113.29 142.95 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.5 m -91.65 139.7 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.01 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.35 129.96 40.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.497 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.51 142.0 28.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 74.21 110.862 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.48 159.25 1.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 73.41 110.865 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.591 2.194 . . . . 72.25 112.343 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.78 79.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.1 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.62 -48.64 37.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.918 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.67 -43.32 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.906 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.35 -50.66 36.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.75 66.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.106 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -81.07 -44.76 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -35.65 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 73.25 110.9 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -67.83 162.17 24.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.919 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 121.433 0.463 . . . . 53.12 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 165.14 32.08 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.692 2.261 . . . . 61.23 112.33 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.21 77.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 62.35 112.524 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -70.68 -52.3 22.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 72.23 110.893 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 mtm -98.76 176.03 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 62.03 110.89 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -124.91 124.09 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.916 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.13 136.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 54.24 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.21 136.57 49.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.064 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' THR . 11.0 tt -114.81 139.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.106 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.63 120.56 41.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 60.44 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.74 -167.79 15.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 61.14 112.488 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -123.75 176.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 72.24 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -96.95 -25.91 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.881 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.98 63.73 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.901 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HB2' HD11 ' A' ' 12' ' ' ILE . 46.2 t -157.0 145.28 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.881 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.04 -40.0 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.836 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -51.65 -40.32 59.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 64.53 111.134 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -32.56 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 72.34 110.835 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.71 -51.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 54.5 110.953 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -60.77 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.831 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.47 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 53.12 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -63.14 -49.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 70.51 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mt -58.47 -36.51 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.45 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.17 -51.02 50.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.92 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.41 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.9 mm? -57.45 -48.7 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 70.24 110.925 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -66.78 -34.73 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.967 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.1 -45.75 92.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.919 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.565 ' ND1' HD11 ' A' ' 30' ' ' ILE . 15.7 t-160 -76.4 -16.8 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 71.45 110.824 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 48.75 6.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 61.3 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.565 HD11 ' ND1' ' A' ' 28' ' ' HIS . 50.0 mm -94.75 144.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 74.32 111.133 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.93 102.04 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.845 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.74 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.01 110.88 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 9' ' ' ILE . 27.9 m -96.91 138.04 35.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 70.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -86.2 115.56 23.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 123.83 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.848 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.73 146.03 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CD1' HG22 ' A' ' 12' ' ' ILE . 20.8 p90 -51.95 -33.92 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.904 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -86.48 -46.44 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.939 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -54.34 -29.46 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.888 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.47 -26.66 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.818 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.47 98.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.463 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -83.88 111.21 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 61.22 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.01 177.29 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 53.01 110.888 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.52 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.106 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.5 -51.11 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.932 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -58.51 -49.2 78.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 73.34 111.178 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.61 -45.16 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.93 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.49 -51.19 69.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.873 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -57.62 -36.31 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.916 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 46' ' ' THR . 7.7 m-85 -73.33 -34.76 65.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.4 -40.74 81.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.89 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -69.27 -47.96 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 72.22 110.906 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 m -68.32 -32.5 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.128 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -142.73 133.28 12.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 51.22 111.148 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.76 141.02 44.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.764 2.309 . . . . 74.41 112.355 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -55.28 -27.49 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.24 -33.66 67.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -116.76 26.0 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 tp -117.66 -30.15 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.44 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.4 pp -120.2 136.99 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.44 110.888 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.18 144.51 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.88 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -47.81 2.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.854 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.42 26.74 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 40.23 111.055 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.86 152.94 17.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 64.14 112.445 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -52.05 -32.37 34.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.906 0.384 . . . . 74.54 111.084 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -51.25 62.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 75.01 111.168 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -72.44 -34.86 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -67.02 -14.62 63.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.76 -25.29 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.745 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -81.62 158.27 68.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 75.04 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 176.31 6.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 72.42 112.391 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.58 -38.21 80.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.2 -51.63 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.745 HG12 HD23 ' A' ' 70' ' ' LEU . 74.9 t -67.05 -30.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.132 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -69.92 -26.22 64.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -98.91 -22.9 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -93.65 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -92.52 131.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.15 -172.0 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.815 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.42 4.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.098 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.04 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.112 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -50.46 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.02 110.811 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -47.84 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.1 111.042 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.42 90.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.828 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.71 -48.06 78.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.05 -53.84 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.952 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.502 ' CB ' HD21 ' A' ' 47' ' ' LEU . 28.3 mmt -64.38 -32.66 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.938 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.09 16.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.31 111.064 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.01 75.05 38.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 74.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.73 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 71.34 112.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -66.81 -11.22 54.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.53 110.808 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 mtp -80.0 -15.59 56.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.896 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.4 m -60.94 148.64 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 75.05 111.145 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -52.55 169.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.905 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -177.79 158.87 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 73.24 110.903 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.71 148.24 86.21 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 -1.774 . . . . 63.23 112.329 0.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.82 129.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.11 111.164 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.18 127.45 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.2 110.907 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.89 128.52 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -142.95 112.06 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.07 27.2 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.866 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.68 -23.93 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.513 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -73.93 125.13 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 41.15 110.852 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.9 tp -99.34 128.68 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.3 ptp -126.14 147.91 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.921 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.48 145.66 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.01 111.137 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 168.35 17.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.484 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -132.71 155.6 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 74.21 110.854 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -52.83 160.67 1.38 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 73.41 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 72.25 112.323 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.49 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -49.05 51.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.893 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.84 -42.7 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.918 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.35 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 54.12 110.828 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.48 -27.4 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.123 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -82.55 -54.59 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.981 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.78 -26.77 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.961 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -66.31 146.78 54.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 73.12 110.928 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.42 110.924 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 121.366 0.425 . . . . 53.12 112.528 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -46.12 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 61.23 112.334 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.92 -167.27 27.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 62.35 112.452 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -88.62 -43.79 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 72.23 110.827 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.15 158.14 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 62.03 110.826 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -144.68 126.94 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.84 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.4 148.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 54.24 111.141 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.639 HG23 ' HB ' ' A' ' 33' ' ' THR . 6.7 m -118.33 130.14 55.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 55.12 111.162 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 tt -115.4 137.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 62.44 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -119.14 135.43 54.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 60.44 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.62 -163.37 25.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 61.14 112.568 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.805 HG22 ' CD1' ' A' ' 37' ' ' TYR . 30.4 pt -111.81 172.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.918 0.39 . . . . 72.24 111.14 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -98.76 165.17 11.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.898 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 56.73 42.24 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.938 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 t -123.12 128.22 49.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 62.11 110.89 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.22 -51.25 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 54.43 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -51.84 -55.67 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.136 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mmm -51.94 -48.39 64.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.92 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -52.56 -51.42 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 54.5 110.927 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -57.91 -44.88 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.931 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.65 68.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 53.12 111.093 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -56.91 -49.07 76.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.867 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.69 -34.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.141 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -55.89 12.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.6 mm? -58.26 -41.28 83.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 70.24 110.927 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.95 -45.79 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 72.41 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -62.86 -17.02 60.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.823 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.91 18.04 21.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 61.3 112.434 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.45 147.8 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 74.32 111.133 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.07 120.51 42.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.89 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.6 m-85 -114.32 143.99 43.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.928 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.639 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -82.91 112.73 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.117 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -77.37 117.81 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.835 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -119.52 123.91 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.855 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.2 129.51 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.805 ' CD1' HG22 ' A' ' 12' ' ' ILE . 15.4 p90 -51.19 -36.91 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.45 110.895 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -79.41 -48.81 13.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.844 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -47.37 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.924 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -39.57 86.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.881 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.47 96.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.13 112.475 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.7 131.26 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 61.22 110.897 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' HD13 ' A' ' 42' ' ' LEU . 7.8 m-20 -114.31 153.44 29.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 53.01 110.874 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.68 -49.17 62.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.057 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.46 -50.95 64.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.919 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.591 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -56.73 -48.1 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.34 111.112 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -54.63 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.947 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -53.06 -52.64 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 70.5 110.796 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -56.92 -34.76 68.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.836 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CE1' HD22 ' A' ' 105' ' ' LEU . 8.5 m-85 -73.37 -33.34 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.876 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.48 -38.98 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.879 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -67.07 -28.53 68.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -91.72 -28.04 17.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.105 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.7 t -138.31 133.34 17.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 51.22 111.1 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.85 141.45 44.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 74.41 112.386 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -52.2 -41.65 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.09 -29.4 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -116.22 25.14 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.95 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.02 -24.64 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -119.53 149.39 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.972 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -50.97 143.77 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.886 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -115.99 -31.52 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.92 -23.27 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 151.73 26.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 64.14 112.483 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.6 p -52.74 -33.62 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 74.54 111.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.13 62.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.01 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -78.1 -34.85 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -78.33 -4.33 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.52 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 70' ' ' LEU . 23.7 mmtt -60.23 -23.16 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.67 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.3 mp -120.66 155.69 56.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 75.04 110.943 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.1 Cg_endo -69.81 156.24 63.73 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 72.42 112.341 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.49 -34.58 36.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -64.98 -51.69 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.819 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.67 ' CG1' HD23 ' A' ' 70' ' ' LEU . 53.7 t -67.53 -33.95 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -70.33 -27.54 64.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -15.96 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.833 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -78.95 -3.19 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 63.33 110.884 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.03 131.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 61.22 111.193 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.18 -178.91 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.88 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 60.14 111.136 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.26 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 55.31 111.072 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -51.95 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.816 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.14 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.078 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.09 -39.31 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.811 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.3 -43.92 80.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.45 -49.67 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -32.34 73.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.5 tt -65.87 -47.13 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.32 -48.28 20.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.068 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -124.64 79.91 62.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 74.41 110.931 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.75 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.747 2.298 . . . . 71.34 112.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -18.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.53 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -19.43 45.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.869 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 95' ' ' LYS . 84.1 t -54.68 145.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 75.05 111.149 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.657 ' HD2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.01 171.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.877 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -174.71 159.53 2.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 73.24 110.893 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.83 143.31 73.64 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.729 -1.78 . . . . 63.23 112.324 0.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 105' ' ' LEU . 85.1 t -93.72 125.78 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.141 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.83 122.77 48.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.54 130.14 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.9 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -152.07 122.69 7.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.66 27.43 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.864 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.91 -39.47 2.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.456 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -67.66 135.13 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 41.15 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.702 HD22 ' CE1' ' A' ' 50' ' ' PHE . 7.9 tp -100.02 154.16 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.969 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mmm -136.95 145.09 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.837 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.55 HG13 ' CG ' ' A' ' 95' ' ' LYS . 39.4 t -91.82 125.55 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.21 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.41 139.2 45.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 74.34 112.46 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.9 156.04 17.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 74.21 110.854 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -51.75 160.84 0.99 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 73.41 110.862 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -48.48 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.28 . . . . 72.25 112.323 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.64 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.096 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.17 -48.9 39.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 63.54 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.09 -42.9 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.912 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.6 -50.43 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 54.12 110.853 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.35 -25.07 65.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.056 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -81.86 -56.55 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.957 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -62.37 -26.96 68.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 73.25 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -63.55 172.98 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.857 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 62.42 110.944 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.426 0.459 . . . . 53.12 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.99 7.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 61.23 112.339 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.0 60.6 4.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 62.35 112.476 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -55.1 -61.32 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 72.23 110.848 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 ptm -126.3 153.27 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 62.03 110.873 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -108.33 131.52 54.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.915 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.8 t -87.15 144.39 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 54.24 111.109 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -105.07 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 55.12 111.157 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -114.84 137.67 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 62.44 111.096 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -108.36 153.19 23.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 60.44 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.78 -169.57 36.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.14 112.459 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.414 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -123.14 176.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 72.24 111.142 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.64 -25.91 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.34 70.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 43.33 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -156.95 141.94 17.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.901 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -89.62 -36.19 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.81 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -51.87 -44.27 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 64.53 111.09 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.1 mmm -52.26 -38.14 57.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.88 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.5 -51.48 69.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 54.5 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.25 -48.96 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.863 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 53.12 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -61.28 -48.17 82.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 70.51 110.88 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.13 -36.63 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 74.45 111.138 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -68.25 -55.85 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.75 -38.66 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -70.52 -49.11 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.99 -44.9 74.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.814 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -62.72 -17.03 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 27.77 12.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 61.3 112.457 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.0 mt -107.4 150.23 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 74.32 111.133 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -118.97 112.13 19.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.778 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.2 151.73 30.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 70.01 110.883 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -82.6 111.48 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 70.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -77.31 121.08 23.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.865 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.23 123.86 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.04 136.95 33.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 70.42 110.83 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -51.72 -32.26 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.915 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -88.79 -46.65 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.948 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.26 -46.14 72.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.88 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -32.03 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.922 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.51 97.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.429 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -73.67 132.55 42.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.333 . . . . 61.22 110.923 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.528 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.4 t70 -122.66 179.43 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 53.01 110.868 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.95 65.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.41 111.129 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -52.86 -51.31 61.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.31 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 84' ' ' ARG . 2.9 tm? -53.22 -49.86 65.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.91 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.5 -39.25 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 70.5 110.859 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -61.83 -43.52 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.692 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.3 m-85 -73.15 -34.13 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.921 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -71.21 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 70.24 110.869 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.855 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.607 HG21 ' HA ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -91.62 -32.95 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.113 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 59' ' ' LEU . 58.4 t -137.03 133.39 18.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.616 0.722 . . . . 51.22 111.153 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.8 144.48 53.93 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.661 2.241 . . . . 74.41 112.342 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HB3' HD21 ' A' ' 51' ' ' LEU . 62.9 p-90 -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.938 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.8 -27.16 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -123.15 22.95 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' HG12 ' A' ' 54' ' ' VAL . 21.1 tp -127.73 0.33 6.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 61.44 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.5 pp -150.51 135.24 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.904 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.5 p-10 -56.66 143.98 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.948 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 -23.39 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 73.11 110.891 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.79 30.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 40.23 111.134 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.429 ' HA3' ' ND2' ' A' ' 61' ' ' ASN . . . -122.72 169.78 15.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 64.14 112.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -51.58 -31.2 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.54 111.163 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 93' ' ' MET . 30.0 p -52.79 -38.15 60.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 75.01 111.092 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -78.22 -34.79 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 75.02 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -79.56 -3.81 48.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.895 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -59.97 -30.06 68.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.875 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.1 mp -116.07 158.07 43.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 75.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -179.72 3.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 72.42 112.351 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -71.32 -48.31 51.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 64.42 110.891 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.58 -35.05 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 73.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.706 ' CG1' HD23 ' A' ' 70' ' ' LEU . 58.3 t -85.66 -46.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.143 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -45.15 79.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.872 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.865 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.42 26.08 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.33 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.8 129.95 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 61.22 111.085 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -178.61 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.12 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 60.14 111.125 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.2 8.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 55.31 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -54.73 -51.67 64.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.807 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.96 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 62.1 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' HD11 ' A' ' 47' ' ' LEU . 19.0 mtm180 -52.28 -43.26 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.98 -34.21 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.62 -38.65 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.847 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.563 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.34 -43.65 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.905 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.14 -42.98 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.915 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -47.97 35.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 72.31 111.108 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -135.24 78.2 52.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 74.41 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.511 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.81 -7.9 22.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 71.34 112.333 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -59.4 -20.76 57.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.53 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.692 ' HB2' HG21 ' A' ' 66' ' ' THR . 15.2 ptp -86.23 -17.68 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.33 110.86 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 87' ' ' MET . 95.6 t -50.88 143.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 75.05 111.132 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -51.38 161.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.866 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.516 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -171.82 159.9 4.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 73.24 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.63 156.6 92.36 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 -1.793 . . . . 63.23 112.401 -0.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 105' ' ' LEU . 94.0 t -116.12 136.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.11 111.136 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 mp -114.45 127.36 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -111.68 135.58 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -163.85 123.71 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.942 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 53.23 28.8 7.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.838 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.93 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 31.54 112.455 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.607 ' HA ' HG21 ' A' ' 53' ' ' THR . 24.8 mttm -61.65 125.01 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 41.15 110.955 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.4 tp -97.16 152.56 18.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 75.31 110.883 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ttp -134.14 141.06 46.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.925 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.89 136.74 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.01 111.158 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 166.88 20.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.473 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -138.83 155.82 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.21 110.874 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -52.31 160.67 1.21 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 73.41 110.895 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 72.25 112.312 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.82 80.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.045 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -71.28 -48.51 50.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.54 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.66 -42.65 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.911 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.34 -50.46 38.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.09 -29.19 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.083 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -82.62 -38.07 24.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.992 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.78 -25.83 43.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 73.25 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.73 149.16 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.935 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 62.42 110.873 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 66.8 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.903 0.383 . . . . 54.24 111.093 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.621 HG23 ' HB ' ' A' ' 33' ' ' THR . 16.0 m -111.31 130.11 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 55.12 111.102 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 ' CB ' ' A' ' 97' ' ' PRO . 11.0 tt -114.69 137.39 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 62.44 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.97 155.98 25.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 60.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.54 -138.97 5.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.798 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -133.33 176.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.365 . . . . 72.24 111.145 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -103.21 -25.84 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.873 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -91.08 61.91 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 43.33 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.664 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.4 t -156.95 141.23 16.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.19 -43.83 40.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 54.43 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -51.86 -48.07 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 64.53 111.134 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 57.4 mmm -51.91 -47.28 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 72.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -60.52 -42.42 96.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 54.5 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -64.36 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.862 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.96 -51.93 22.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 53.12 111.144 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.93 -40.23 88.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 70.51 110.86 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.17 -52.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -54.29 -53.42 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.2 mm? -60.65 -43.24 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 70.24 110.908 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.33 -41.12 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.897 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -67.43 -40.39 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.853 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -62.75 -16.99 60.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.94 19.28 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.44 140.24 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 74.32 111.115 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.59 116.38 28.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.867 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.72 127.95 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 70.01 110.954 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.621 ' HB ' HG23 ' A' ' 8' ' ' THR . 34.7 m -84.54 114.53 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -76.96 115.55 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -124.24 123.76 40.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.813 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.54 146.59 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 70.42 110.847 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.798 ' CD1' HG22 ' A' ' 12' ' ' ILE . 37.4 p90 -51.68 -38.63 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.931 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -30.31 26.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 74.3 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.66 -47.42 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.907 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.43 -24.88 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.24 96.25 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 54.13 112.48 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.877 HD11 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -81.53 123.03 28.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 61.22 110.951 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' C ' HD21 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -141.16 177.47 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 53.01 110.883 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.4 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 54.41 111.075 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.85 -51.42 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 65.44 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.677 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -59.42 -47.73 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.137 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.7 -50.58 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.912 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -57.72 -48.31 79.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 70.5 110.886 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -42.12 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.896 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.677 ' CE2' HG22 ' A' ' 46' ' ' THR . 20.6 m-85 -68.1 -51.63 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -59.6 -26.64 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.936 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -82.48 -24.05 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.903 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.9 m -83.95 -33.33 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 72.44 111.169 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.744 HG23 ' CD1' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -141.24 158.04 65.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 51.22 111.132 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.14 41.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 74.41 112.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HB3' HD21 ' A' ' 51' ' ' LEU . 46.0 p-90 -57.45 -24.14 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.921 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.48 -30.52 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -111.96 27.39 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -109.82 -22.92 11.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 61.44 110.935 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 ' CE ' ' A' ' 93' ' ' MET . 1.7 pp -132.55 133.32 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.79 143.91 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.852 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -116.08 -18.21 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.19 29.84 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 40.23 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.89 -161.48 11.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 64.14 112.503 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -81.64 -31.58 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 74.54 111.144 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 93' ' ' MET . 62.3 p -52.87 -51.73 60.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -69.19 -36.34 77.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.02 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.4 -14.85 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 73.52 110.852 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -60.84 -52.63 64.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -70.25 159.1 85.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 75.04 110.942 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.2 Cg_endo -69.7 -176.43 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 72.42 112.394 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.11 -36.65 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.909 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -65.52 -51.44 59.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 70' ' ' LEU . 86.3 t -66.26 -44.89 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -51.97 -30.15 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 70.2 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.9 t -99.14 -20.97 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.4 42.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.86 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.31 138.4 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.53 164.32 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.834 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.14 111.122 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.37 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 55.31 111.086 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.8 m -53.74 -51.79 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.86 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.04 -56.25 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 62.1 111.054 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -51.59 -43.74 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.98 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.893 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 82' ' ' SER . 3.5 mm? -70.15 -36.79 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.11 110.929 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.714 ' CB ' HD21 ' A' ' 47' ' ' LEU . 35.3 mmt -72.36 -43.4 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -69.82 -35.6 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.0 -48.18 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.075 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.75 77.19 51.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 74.41 110.89 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.501 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.77 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 71.34 112.369 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -63.82 -16.23 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 60.53 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB2' HG21 ' A' ' 66' ' ' THR . 8.3 ptm -90.95 -14.82 30.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.581 HG22 ' SD ' ' A' ' 87' ' ' MET . 88.7 t -51.03 144.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.05 111.125 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.0 pttt -50.63 153.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.41 110.869 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -171.16 155.92 4.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 73.24 110.848 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.79 169.05 65.37 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 -1.817 . . . . 63.23 112.344 0.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD21 ' A' ' 105' ' ' LEU . 93.0 t -127.61 133.71 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 75.11 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.3 126.92 53.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 64.2 110.934 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -113.93 121.39 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.882 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.45 112.13 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 74.21 110.87 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 59.92 31.51 20.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.53 -45.03 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 31.54 112.487 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -56.53 124.15 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 41.15 110.867 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.532 HD21 HG13 ' A' ' 98' ' ' VAL . 6.9 tt -99.15 143.25 29.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.938 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.3 ttp -130.32 149.67 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.932 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.651 HG22 ' HD2' ' A' ' 95' ' ' LYS . 22.0 t -91.87 142.54 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.108 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 147.27 49.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.492 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.5 155.97 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 74.21 110.868 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -63.32 160.69 39.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.551 0.691 . . . . 73.41 110.958 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 72.25 112.354 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.1 81.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 74.33 111.052 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.36 -49.51 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 63.54 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.87 -42.46 72.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.901 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.55 -50.51 36.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 54.12 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.69 64.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.106 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -82.67 -59.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.921 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.902 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.439 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 17.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.91 0.386 . . . . 54.24 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -122.06 131.73 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.118 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 97' ' ' PRO . 11.2 tt -114.72 137.38 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.165 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -109.19 139.31 44.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.97 -168.49 24.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.6 pt -130.57 176.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.24 111.117 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -108.35 175.59 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.873 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.63 26.36 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 43.33 110.821 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -121.4 -176.87 3.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.823 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -120.89 -33.53 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.828 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -51.48 -51.3 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.109 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.0 mtp -52.22 -32.52 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.839 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -60.3 -51.79 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.5 110.881 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -65.46 -43.35 90.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -61.11 -47.59 85.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 53.12 111.102 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.31 -49.4 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 70.51 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.456 HG22 ' OD2' ' A' ' 27' ' ' ASP . 39.1 mt -59.67 -36.16 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.11 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.74 -51.2 43.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 74.25 110.92 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -57.39 -47.3 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 70.24 110.924 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.35 -34.51 76.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' OD2' HG22 ' A' ' 23' ' ' ILE . 5.2 m-20 -61.92 -46.21 90.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.865 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -72.79 -16.99 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 42.46 8.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.768 . . . . 61.3 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.42 140.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 74.32 111.084 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -80.48 115.05 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.825 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 25' ' ' LEU . 3.6 m-85 -136.31 128.27 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.942 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.0 m -88.09 117.04 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 70.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -77.14 122.24 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.885 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.49 120.39 28.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.808 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.31 142.67 30.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.687 ' CD1' HG22 ' A' ' 12' ' ' ILE . 13.5 p90 -56.44 -29.78 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.891 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -92.7 -54.91 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 74.3 110.95 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -53.98 -27.63 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.904 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.14 -32.93 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.31 160.72 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 54.13 112.529 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -140.81 123.43 16.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 61.22 110.896 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 42' ' ' LEU . 6.8 m-20 -108.87 162.64 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 53.01 110.835 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.06 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.16 -50.0 62.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 65.44 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.599 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -61.72 -50.61 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.181 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -55.15 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -53.25 -51.26 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.915 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -56.31 -37.58 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.845 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.2 m-85 -72.4 -39.29 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.4 -33.37 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.932 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -71.18 -25.72 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.904 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 m -92.12 -33.17 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.65 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.8 t -141.32 133.35 13.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.539 0.685 . . . . 51.22 111.193 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.86 144.59 53.98 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 74.41 112.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -56.36 -25.1 48.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -32.84 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -122.59 23.85 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' HB ' ' A' ' 54' ' ' VAL . 8.3 tp -116.1 -17.21 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.92 149.46 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 71.44 110.927 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.493 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.34 143.59 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.913 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.53 -47.98 3.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 27.51 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 40.23 111.096 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.46 160.0 22.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 64.14 112.47 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -51.82 -34.29 39.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 74.54 111.1 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.183 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -76.0 -34.78 59.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.904 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -20.85 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.83 -25.41 66.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.848 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.731 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -88.81 157.92 48.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 75.04 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 178.82 4.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 72.42 112.369 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -71.3 -36.08 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.855 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.26 -51.72 49.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD23 ' A' ' 70' ' ' LEU . 79.4 t -65.76 -33.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 71.3 111.125 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.91 -25.7 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 t -98.29 -23.47 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 72.3 110.945 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -93.26 42.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 63.33 110.951 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.76 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.22 111.073 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -129.61 170.18 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.876 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.35 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.14 111.053 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -58.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 55.31 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.8 m -53.99 -51.66 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.861 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.06 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.1 111.162 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -56.94 -44.05 82.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.79 -46.83 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 82' ' ' SER . 3.9 mm? -55.27 -49.34 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -32.7 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.891 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.3 tt -58.94 -55.6 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.02 -25.17 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.31 111.095 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.57 74.37 75.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.624 0.726 . . . . 74.41 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.471 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.74 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 2.215 . . . . 71.34 112.429 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 p -58.13 -23.68 55.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.834 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -19.22 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 91' ' ' PRO . 59.9 t -57.11 142.75 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.201 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 162.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.887 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.54 159.63 2.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 73.24 110.825 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.73 153.34 92.85 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.757 -1.768 . . . . 63.23 112.264 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.1 t -115.29 141.79 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.09 122.93 49.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.8 117.85 34.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.22 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 109.8 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.875 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 54.62 28.74 10.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 73.03 110.851 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 -43.07 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 31.54 112.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -54.92 134.46 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 41.15 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.97 137.19 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.95 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.5 mtp -131.57 142.82 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.851 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -93.37 142.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.082 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 164.73 24.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 74.34 112.47 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -136.91 154.41 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 74.21 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -52.5 160.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.551 0.691 . . . . 73.41 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.692 2.262 . . . . 72.25 112.385 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.37 81.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.074 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.17 -49.0 48.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 63.54 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.26 -42.07 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.52 110.935 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.6 -50.41 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 54.12 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.7 -31.33 68.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.118 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.15 -36.28 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.017 0.436 . . . . 72.22 110.995 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.816 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.693 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.2 p . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.9 0.381 . . . . 54.24 111.101 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -119.44 138.91 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 55.12 111.139 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.626 HG21 ' NH2' ' A' ' 22' ' ' ARG . 11.6 tt -114.85 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 62.44 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -106.33 133.64 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.918 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.32 21.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 61.14 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.745 HG22 ' CD1' ' A' ' 37' ' ' TYR . 6.7 pt -136.34 173.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 72.24 111.146 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.64 35.95 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.942 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.619 ' HB2' HD12 ' A' ' 12' ' ' ILE . 67.2 m-20 -142.75 45.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 43.33 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -155.8 166.41 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.35 -34.19 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.5 m -51.74 -36.93 49.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.165 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.06 65.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.834 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -57.21 -51.22 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.5 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -59.8 -43.01 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.32 110.859 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 53.12 111.162 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.626 ' NH2' HG21 ' A' ' 9' ' ' ILE . 6.0 mmp_? -60.07 -48.23 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.813 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.6 mt -58.31 -36.35 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.162 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -55.95 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.907 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -38.96 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.93 -44.24 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.839 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.34 -16.96 64.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 71.45 110.863 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.57 37.84 19.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 61.3 112.497 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -107.19 146.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 74.32 111.199 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.59 106.38 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.869 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 7' ' ' VAL . 2.4 m-85 -119.64 134.63 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 70.01 110.92 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.7 110.47 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 70.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -77.09 120.84 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.58 123.17 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.853 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.56 151.47 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.809 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.745 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.2 p90 -54.77 -29.41 53.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.834 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -90.93 -51.38 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.858 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -47.52 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.888 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.62 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.971 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.33 96.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 54.13 112.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -78.63 127.04 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 61.22 110.922 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -117.39 168.75 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.839 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -58.01 -42.25 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.17 -50.98 67.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.848 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.641 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.75 -51.44 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.133 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.03 -49.74 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.96 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.18 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.899 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.78 -39.74 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.1 m-85 -71.97 -32.1 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -70.39 -37.22 74.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 70.24 110.909 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.86 -44.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.926 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -74.64 -26.75 60.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 72.44 111.142 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -147.36 133.33 9.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 51.22 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.8 Cg_endo -69.83 138.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.606 2.204 . . . . 74.41 112.377 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.439 ' HB3' HD21 ' A' ' 51' ' ' LEU . 47.3 p-90 -54.05 -28.32 38.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -35.48 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.9 29.07 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.866 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 61.44 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.91 149.77 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.883 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.573 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -53.27 143.99 17.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.854 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 -53.33 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.03 -21.33 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 40.23 111.059 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.69 149.04 8.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.2 p -53.15 -32.98 50.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 74.54 111.106 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -37.44 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.01 111.2 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -77.93 -34.85 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -76.4 -5.55 47.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.898 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -84.35 157.22 62.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 75.04 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 178.75 4.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.686 2.258 . . . . 72.42 112.431 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.4 -35.14 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 64.42 110.889 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -67.96 -51.83 43.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.706 HG12 HD23 ' A' ' 70' ' ' LEU . 76.1 t -64.85 -30.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 71.3 111.097 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' NH2' HD22 ' A' ' 70' ' ' LEU . 3.3 mmp_? -81.97 -24.78 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 70.2 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -84.2 -24.4 30.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.51 20.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.37 129.67 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.159 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -128.59 -176.62 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.945 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -56.51 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.072 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.89 -58.34 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 55.31 111.109 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -54.27 -48.93 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.829 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.2 -46.61 62.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 62.1 111.121 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -66.21 -38.6 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.794 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.74 -48.56 74.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.04 -51.98 65.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.11 110.909 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.781 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.7 -32.56 72.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.872 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 44' ' ' ALA . 8.3 tt -65.82 -54.27 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.95 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.93 -48.32 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.31 111.112 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -122.52 78.7 46.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.41 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.63 2.22 . . . . 71.34 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -58.67 -21.03 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.53 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtp -80.47 -19.23 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 71.33 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.0 t -57.54 143.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.05 111.15 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 157.41 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 64.41 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -170.88 159.75 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.69 . . . . 73.24 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 63.23 112.296 0.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.2 139.78 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.128 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.99 123.24 49.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.2 110.904 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.29 115.41 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.22 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -150.46 128.92 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t0 59.23 37.42 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.834 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.94 22.48 72.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 31.54 112.457 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -119.11 130.49 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 41.15 110.888 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.43 134.34 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.919 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.6 mtm -126.76 146.87 50.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.841 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -91.79 136.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.01 111.193 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.13 151.59 47.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 74.34 112.48 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -129.53 155.98 44.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 74.21 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -51.48 160.71 0.93 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 73.41 110.859 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 72.25 112.263 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.07 81.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 74.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -69.78 -49.32 54.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.45 -41.11 69.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -50.51 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.933 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.14 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -80.9 -41.55 22.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.91 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 99' ' ' LEU . 22.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.806 0.336 . . . . 54.24 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -131.68 135.42 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 55.12 111.202 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 33' ' ' THR . 13.4 tt -114.74 143.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 62.44 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -118.27 136.01 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 60.44 110.902 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.67 -157.26 12.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 61.14 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 pt -136.45 155.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.24 111.134 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -95.14 50.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.876 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -155.79 30.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 43.33 110.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 p -136.49 -178.54 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 62.11 110.849 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.84 -30.73 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.834 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.5 -42.96 75.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.53 111.088 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.867 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -51.7 66.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 54.5 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.95 -38.8 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.892 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.39 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.12 111.156 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -69.63 -47.63 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 70.51 110.831 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.51 -37.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.45 111.119 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -69.32 -50.99 41.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 30' ' ' ILE . 3.5 mm? -59.68 -38.93 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 70.24 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -72.7 -48.77 36.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.913 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.53 -39.37 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.75 -16.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.843 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 40.11 10.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.701 -0.761 . . . . 61.3 112.432 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 25' ' ' LEU . 79.5 mt -102.2 143.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.857 0.361 . . . . 74.32 111.159 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -85.26 129.57 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.837 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -172.02 134.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.937 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 9' ' ' ILE . 12.6 m -90.54 134.81 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 70.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.63 115.0 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.941 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -115.69 123.87 49.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.95 139.74 42.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 70.42 110.856 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 42' ' ' LEU . 19.1 m-85 -71.28 -38.03 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.931 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -54.58 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.891 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -54.18 -47.5 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.927 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.48 -70.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.826 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.63 111.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 54.13 112.487 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -81.43 112.34 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 61.22 110.841 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.67 157.38 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 53.01 110.906 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.14 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 54.41 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.668 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.37 -45.98 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.112 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.03 -50.35 69.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.95 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.56 -43.24 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 70.5 110.855 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -58.21 -39.55 79.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.859 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 46' ' ' THR . 21.8 m-85 -73.18 -39.34 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 71.14 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -62.81 -37.9 88.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.24 110.918 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.52 -25.76 66.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 72.22 110.942 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -93.34 -25.02 17.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.44 111.115 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -144.17 133.28 11.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 51.22 111.118 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.84 145.17 55.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 74.41 112.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 60' ' ' LEU . 62.4 p-90 -52.31 -43.13 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.93 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.92 -32.04 31.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -116.01 25.91 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.89 13.18 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 61.44 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.35 147.39 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.923 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.72 140.99 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.09 -55.2 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.817 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.56 25.06 10.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 40.23 111.085 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.9 -169.89 43.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 64.14 112.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -81.31 -43.35 19.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 74.54 111.183 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 p -55.47 -43.85 75.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.68 -34.83 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.894 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -22.99 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -60.82 -43.68 97.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG11 ' A' ' 74' ' ' VAL . 20.1 mt -70.24 156.69 91.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 75.04 110.93 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 72.42 112.326 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -71.23 -36.36 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.98 -50.83 64.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.005 HG11 HD22 ' A' ' 70' ' ' LEU . 95.5 t -67.69 -42.43 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 71.3 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.95 -22.69 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 70.2 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -13.34 15.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.901 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -93.1 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.903 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.9 t -93.75 134.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 61.22 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.96 175.88 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.98 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 60.14 111.084 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.62 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 55.31 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.808 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.23 -49.64 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 62.1 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -63.86 -37.31 86.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.871 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.89 -41.27 87.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.921 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.17 -49.02 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.3 mmt -65.87 -32.61 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.4 110.871 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -55.38 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.24 -48.35 65.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.101 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -126.24 80.34 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.44 21.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 71.34 112.372 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -58.18 -21.97 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 60.53 110.801 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtp -80.47 -19.62 45.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 71.33 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -51.93 141.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -51.83 159.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.879 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -174.37 159.56 2.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 73.24 110.895 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.75 153.06 92.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 -1.803 . . . . 63.23 112.331 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.414 HG13 ' HG ' ' A' ' 105' ' ' LEU . 88.5 t -114.0 121.28 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -114.09 123.82 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 64.2 110.943 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -105.01 120.18 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.888 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -125.14 116.29 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.83 26.06 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.49 8.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 134.24 46.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 41.15 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.414 ' HG ' HG13 ' A' ' 98' ' ' VAL . 6.8 tp -97.9 134.38 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.911 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mmm -125.48 145.22 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.843 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.85 143.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 75.01 111.192 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.35 157.24 37.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.31 156.08 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 74.21 110.858 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -51.82 160.78 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 73.41 110.846 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.25 112.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.11 80.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.094 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.18 -49.52 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 63.54 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.97 -42.17 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.943 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.6 -50.4 37.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 54.12 110.939 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.82 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.13 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -82.69 -38.64 23.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.833 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 54.24 111.081 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.9 m -109.89 130.44 55.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 55.12 111.152 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.91 137.62 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 62.44 111.121 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -99.95 154.45 18.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.926 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.51 -166.81 33.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 61.14 112.457 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 37' ' ' TYR . 23.3 pt -142.48 176.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.967 0.413 . . . . 72.24 111.052 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.925 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -105.64 69.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 43.33 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -156.91 143.18 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.11 110.872 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.39 -36.35 11.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.438 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -52.75 -37.42 59.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.159 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.32 -30.71 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.85 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -51.54 57.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 54.5 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -66.95 -37.32 84.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.854 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.44 94.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 53.12 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -68.27 -48.97 63.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.848 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -58.68 -40.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -67.29 -55.0 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.89 -43.33 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.7 -47.33 69.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.67 -44.16 73.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.904 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.92 -16.89 60.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.45 23.02 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.794 -0.717 . . . . 61.3 112.509 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.7 mt -107.5 147.76 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 74.32 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.42 116.99 27.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.881 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.7 157.95 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.01 110.891 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -89.09 105.57 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 70.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.13 120.35 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -125.53 116.28 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.35 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -79.6 147.65 32.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' ' 12' ' ' ILE . 25.0 p90 -52.03 -33.13 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.994 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.878 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -53.93 -47.7 70.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.84 -23.45 52.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.56 97.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.677 -0.773 . . . . 54.13 112.489 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.91 115.16 20.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 61.22 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -119.87 178.8 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.01 110.863 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.442 ' CA ' HD11 ' A' ' 88' ' ' LEU . . . -57.67 -40.67 79.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.046 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.0 -51.4 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 65.44 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -52.86 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.34 111.09 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -52.46 -49.0 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 72.53 110.877 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.78 -53.77 54.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.817 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -56.66 -39.54 73.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.69 -27.13 61.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.906 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.77 -51.59 21.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 70.24 110.932 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -60.16 -26.94 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.94 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -89.51 -29.59 18.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 105' ' ' LEU . 57.8 t -145.97 133.4 10.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.686 0.755 . . . . 51.22 111.029 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.78 141.42 45.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 74.41 112.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -52.18 -43.76 64.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 72.32 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.74 -30.18 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -116.87 28.73 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.953 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.1 tp -127.54 6.79 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.843 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -147.98 149.6 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 71.44 110.912 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.62 138.62 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.981 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -107.23 -40.23 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.77 29.6 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 40.23 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.68 151.75 17.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.52 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.0 p -53.3 -31.84 45.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 74.54 111.194 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -49.22 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.093 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.33 -34.78 78.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -74.77 -7.14 52.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 3.9 mp -87.28 152.84 53.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 75.04 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.4 Cg_endo -69.66 -179.17 2.69 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.673 2.249 . . . . 72.42 112.407 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.4 -37.38 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.2 -51.72 65.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 70' ' ' LEU . 91.6 t -64.86 -40.04 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.103 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.53 HH21 HD22 ' A' ' 70' ' ' LEU . 5.3 mmp_? -71.79 -22.9 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.797 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -85.17 -22.43 28.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -95.3 23.84 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.33 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -81.46 135.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -133.47 -178.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.01 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 60.14 111.063 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.14 7.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -49.67 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.26 62.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 62.1 111.106 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -64.4 -49.95 69.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.799 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.6 -49.8 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.906 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.38 -53.71 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.813 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.68 -32.77 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.923 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -65.67 -56.43 12.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.904 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.8 -48.33 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 72.31 111.096 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.97 78.84 16.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.715 . . . . 74.41 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.82 -7.36 20.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 71.34 112.358 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.0 t -58.5 -20.71 48.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 60.53 110.822 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.5 mtp -80.58 -19.23 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 71.33 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 91' ' ' PRO . 58.7 t -57.45 145.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.108 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 168.71 10.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.837 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.511 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.6 ptp85 -174.83 159.44 2.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.594 0.711 . . . . 73.24 110.823 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.9 Cg_endo -69.69 152.13 91.86 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 -1.779 . . . . 63.23 112.368 -0.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 105' ' ' LEU . 90.3 t -113.16 130.44 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.11 111.183 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.24 129.5 55.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.937 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -116.71 115.24 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -146.44 125.27 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.28 28.12 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.28 -44.37 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 31.54 112.539 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.2 132.09 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 41.15 110.861 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 54' ' ' VAL . 4.5 tp -99.93 150.61 22.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.888 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.15 139.91 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 74.33 110.828 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.89 141.3 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.123 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.6 168.17 18.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 74.34 112.433 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -141.76 155.95 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 74.21 110.871 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -53.14 160.66 1.53 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 73.41 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -48.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 72.25 112.325 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.85 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.95 -49.37 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.54 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.44 -42.68 74.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.57 -50.46 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.23 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.126 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.6 -40.69 20.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.901 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.941 0.4 . . . . 54.24 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 135.3 51.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 55.12 111.184 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 33' ' ' THR . 13.0 tt -114.82 143.33 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.096 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -111.96 124.35 52.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 60.44 110.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.79 -168.34 17.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 61.14 112.562 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.99 176.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 72.24 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -90.56 -25.99 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.866 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -91.84 64.79 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 43.33 110.903 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.06 161.07 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.49 -41.12 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -51.72 -32.93 32.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 64.53 111.185 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -34.22 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.957 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 23' ' ' ILE . 4.1 tppt? -64.56 -51.62 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.5 110.911 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -52.13 66.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.869 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.93 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 53.12 111.084 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -58.63 -49.14 78.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 70.51 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 19' ' ' LYS . 22.9 mt -59.73 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.149 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.72 -50.64 49.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.934 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD13 HD12 ' A' ' 30' ' ' ILE . 4.1 mm? -57.38 -47.67 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.88 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -67.89 -35.58 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.86 -41.43 99.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 72.41 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -80.68 -17.02 52.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.12 51.7 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 61.3 112.548 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 HD13 ' A' ' 25' ' ' LEU . 83.8 mt -105.53 143.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 74.32 111.1 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -86.17 119.43 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 75.12 110.918 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -160.73 135.12 7.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.254 -0.43 . . . . 70.01 111.022 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 9' ' ' ILE . 34.6 m -92.24 135.5 33.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.89 110.33 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.4 110.929 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.58 122.76 48.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.95 136.5 33.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.83 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.517 ' HD1' HD23 ' A' ' 42' ' ' LEU . 6.9 m-85 -60.47 -43.33 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.848 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -71.77 -54.81 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -54.16 -47.52 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.953 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -67.48 -27.69 67.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 71.13 110.823 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 98.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.94 121.76 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 61.22 110.837 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.2 t70 -121.72 176.49 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 53.01 110.831 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.41 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 54.41 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.2 -50.84 71.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.934 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.436 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -63.69 -47.28 81.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 73.34 111.101 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -49.06 78.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.926 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.53 -47.55 85.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 70.5 110.884 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.2 -45.27 83.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' A' ' 46' ' ' THR . 12.9 m-85 -67.49 -33.75 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.926 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.61 -37.44 73.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.883 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -68.26 -36.5 79.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.903 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 m -82.04 -32.75 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 72.44 111.185 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.9 t -135.77 133.28 19.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.697 0.76 . . . . 51.22 111.178 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.5 Cg_endo -69.71 138.45 38.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.716 2.278 . . . . 74.41 112.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.611 ' HB3' HD21 ' A' ' 51' ' ' LEU . 56.6 p-90 -54.37 -27.47 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.861 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -53.43 -33.65 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.16 27.58 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.4 tp -114.79 -26.04 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -115.44 148.24 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.878 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.98 143.54 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.92 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -58.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.15 -18.81 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 40.23 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.79 144.58 16.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.14 112.511 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.7 p -51.96 -31.93 31.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 74.54 111.139 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -38.47 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.142 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -77.96 -35.25 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.865 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -75.4 -12.54 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.78 -51.66 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.975 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -62.95 159.07 49.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 75.04 110.879 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.8 179.77 3.49 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 72.42 112.332 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.26 -32.38 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.909 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.25 -47.69 63.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.549 HG11 HD12 ' A' ' 70' ' ' LEU . 92.6 t -71.58 -40.12 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.114 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -63.7 -25.09 68.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.888 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -99.85 -20.92 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.823 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -92.95 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.33 110.93 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.21 130.96 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 61.22 111.143 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.74 177.15 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.71 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 60.14 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.68 -56.51 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 55.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -51.67 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -47.82 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 62.1 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.77 -35.75 81.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.27 -40.24 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.823 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.88 -44.23 81.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.875 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 34.3 mmt -72.38 -32.99 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.84 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.4 tt -67.08 -58.45 4.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.835 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.3 64.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.082 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.77 74.58 79.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.541 0.686 . . . . 74.41 110.854 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.0 Cg_endo -69.81 -9.64 26.59 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.73 2.287 . . . . 71.34 112.245 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -61.63 -20.84 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 60.53 110.792 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.24 -19.27 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 91' ' ' PRO . 97.2 t -51.42 144.2 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 75.05 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -63.1 159.84 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 64.41 110.942 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.512 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 2.9 ptp85 -178.11 159.53 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.24 110.847 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.9 Cg_endo -69.6 154.86 92.99 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.756 -1.768 . . . . 63.23 112.413 -0.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.78 130.25 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.147 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.19 122.36 47.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.951 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.18 127.95 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 64.22 110.896 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -138.73 108.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.908 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t0 57.74 26.26 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.944 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.89 -33.41 6.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 31.54 112.454 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -61.91 136.43 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 41.15 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 54' ' ' VAL . 9.0 tp -109.75 120.39 42.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 mmt -114.18 138.97 49.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.41 144.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.1 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.54 146.26 49.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.42 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.69 156.01 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 74.21 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -51.89 160.66 1.08 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 73.41 110.95 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 72.25 112.299 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.87 80.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -49.36 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 63.54 110.856 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.5 -42.93 75.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.51 -50.49 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 54.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -24.22 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.23 111.084 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.66 -56.71 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.923 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 73.25 110.902 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 32' ' ' TYR . 40.3 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.88 0.371 . . . . 54.24 111.1 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -112.48 125.65 54.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 55.12 111.107 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 33' ' ' THR . 12.7 tt -114.82 140.15 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.127 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.652 ' OH ' HD23 ' A' ' 42' ' ' LEU . 5.7 t80 -89.26 149.63 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 60.44 110.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.05 174.43 34.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 61.14 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.436 HG22 ' HD2' ' A' ' 37' ' ' TYR . 25.0 pt -140.35 160.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.978 0.418 . . . . 72.24 111.165 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -71.96 142.41 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.52 110.875 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.21 56.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 43.33 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -119.94 160.57 22.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.11 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 -50.6 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 54.43 110.864 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 96' ' ' ARG . 13.3 t -51.67 -32.53 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.53 111.234 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.73 -45.92 91.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -53.89 -51.51 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -60.83 -47.23 87.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 71.32 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.99 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 53.12 111.14 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -49.15 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 70.51 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.74 -35.3 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 74.45 111.093 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -67.18 -56.0 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 HD12 ' A' ' 30' ' ' ILE . 4.4 mm? -60.21 -47.49 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.24 110.99 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.99 -45.31 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.904 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.73 -45.64 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.94 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 20.47 13.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 61.3 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD12 HD13 ' A' ' 25' ' ' LEU . 48.1 mt -107.43 148.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 74.32 111.104 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -116.32 115.34 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.856 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 7' ' ' VAL . 2.5 m-85 -114.92 143.42 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.953 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 9' ' ' ILE . 10.6 m -82.74 117.72 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -77.07 116.04 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 74.4 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -119.18 104.74 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.47 136.62 32.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HD2' HG22 ' A' ' 12' ' ' ILE . 11.3 p90 -51.38 -33.56 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.985 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -79.94 -40.39 28.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 74.3 110.879 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -54.08 -47.62 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.69 -24.06 20.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.76 100.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.435 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.652 HD23 ' OH ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -63.02 131.06 47.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 61.22 110.86 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 42' ' ' LEU . 59.8 m-20 -138.43 162.67 33.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.888 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -51.55 -31.55 24.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 54.41 111.114 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -65.68 -51.32 60.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 65.44 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 50' ' ' PHE . 3.3 m -64.05 -47.3 80.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.135 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.5 OUTLIER -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.884 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.96 -47.4 86.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 70.5 110.92 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -57.68 -40.52 79.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.1 m-85 -72.18 -33.17 67.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.871 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.02 -39.89 83.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.905 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -66.8 -29.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.905 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 p -87.98 -27.89 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.164 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 105' ' ' LEU . 59.9 t -144.11 133.29 11.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.634 0.731 . . . . 51.22 111.115 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 54' ' ' VAL . 52.6 Cg_endo -69.89 145.06 55.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 74.41 112.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -53.16 -41.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.955 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.43 -31.04 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 74.32 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -116.9 24.5 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.84 -22.44 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.44 110.876 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -117.8 149.94 39.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.96 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.46 143.59 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.865 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -56.25 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.805 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.09 29.68 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 40.23 111.089 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.56 151.48 18.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 64.14 112.503 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.5 p -52.15 -33.52 40.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 74.54 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.84 71.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 75.01 111.222 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.63 -34.8 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.874 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -76.72 -5.24 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 73.52 110.85 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.76 -40.8 93.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.43 110.921 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.13 HD22 HG11 ' A' ' 74' ' ' VAL . 12.4 mt -92.97 156.29 40.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 75.04 110.922 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.61 -178.42 2.28 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.734 2.289 . . . . 72.42 112.377 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.4 -36.19 71.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -51.76 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.13 HG11 HD22 ' A' ' 70' ' ' LEU . 80.3 t -62.23 -38.13 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.151 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 78' ' ' VAL . 6.3 mmp_? -75.74 -21.68 57.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -23.19 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -94.61 21.32 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 63.33 110.893 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 75' ' ' ARG . 10.9 p -86.73 135.68 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 61.22 111.125 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.61 179.91 5.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.873 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 60.14 111.087 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.23 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 55.31 111.081 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -51.55 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.859 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.25 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 62.1 111.073 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -59.65 -48.0 83.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.38 -53.03 62.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.943 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.97 -32.63 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.9 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 42' ' ' LEU . 2.3 tt -65.03 -56.81 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 71.42 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.25 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.07 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -119.41 79.31 20.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 74.41 110.937 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -7.45 21.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 71.34 112.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.8 m -58.48 -20.66 47.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 60.53 110.867 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.9 mtp -80.29 -19.22 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.83 136.03 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.05 111.166 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -51.65 159.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.883 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HD3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -174.44 159.67 2.64 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.632 0.729 . . . . 73.24 110.833 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.69 153.82 92.9 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 63.23 112.322 -0.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 87.9 t -117.43 137.96 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.181 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 mp -113.96 127.37 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 64.2 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -111.73 139.47 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -160.01 112.97 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 t0 54.21 30.38 12.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.85 26.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 31.54 112.474 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -72.34 123.63 23.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 41.15 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 54' ' ' VAL . 8.8 tp -100.46 146.38 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttt -133.0 139.68 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.891 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.84 127.54 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.142 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 173.08 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.522 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -144.9 156.08 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.895 0.379 . . . . 74.21 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -51.97 160.59 1.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 73.41 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -48.84 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 72.25 112.389 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.55 84.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.091 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -69.57 -48.85 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.54 110.865 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.34 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.915 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.43 -50.69 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 54.12 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.05 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -82.77 -38.66 22.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.878 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.864 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 32' ' ' TYR . 8.8 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.927 0.394 . . . . 54.24 111.126 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -125.67 140.13 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 55.12 111.165 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tt -115.39 137.45 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.44 111.131 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -97.89 145.88 26.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 60.44 110.951 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.85 -170.31 32.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 61.14 112.451 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.705 HG22 ' CD1' ' A' ' 37' ' ' TYR . 28.9 pt -130.52 174.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 72.24 111.139 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -89.59 142.29 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.862 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t30 63.36 60.01 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 43.33 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.64 163.05 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.11 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.16 -45.27 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 54.43 110.838 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -51.55 -56.97 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 64.53 111.156 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 75.0 mmm -53.46 -37.56 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -56.64 -51.56 68.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -63.74 -47.34 81.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -57.3 -44.26 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.12 111.07 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -64.28 -49.34 72.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 70.51 110.818 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.84 -36.71 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.167 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -68.53 -48.8 63.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.935 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 21' ' ' ALA . 3.8 mm? -59.4 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.86 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -67.8 -34.9 77.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.72 -46.13 89.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.823 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -17.1 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.861 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.99 36.24 8.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 61.3 112.478 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mt -107.29 143.91 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.32 111.115 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.23 120.64 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.85 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CE1' HG11 ' A' ' 7' ' ' VAL . 3.4 m-85 -136.65 134.71 37.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 70.01 110.947 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -86.66 123.53 31.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.098 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -78.23 122.61 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.51 119.5 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.92 136.01 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.8 p90 -52.4 -34.33 47.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.903 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -85.77 -34.55 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -53.95 -32.43 53.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 74.4 110.891 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -118.28 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 71.13 110.773 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.58 104.66 2.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 54.13 112.484 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 115.91 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 61.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.4 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 53.01 110.865 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.18 85.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -56.57 -51.58 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 65.44 110.924 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -53.22 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.126 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -52.36 -47.62 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.887 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.5 110.843 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -58.17 -41.96 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.856 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD22 ' A' ' 105' ' ' LEU . 14.9 m-85 -71.19 -40.5 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 70.24 110.902 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.43 -50.65 15.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -68.04 -32.46 72.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.52 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.6 t -143.9 133.38 11.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.577 0.703 . . . . 51.22 111.144 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.87 148.48 64.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.645 2.23 . . . . 74.41 112.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.517 ' O ' HD23 ' A' ' 60' ' ' LEU . 60.8 p-90 -52.41 -42.83 64.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.961 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.04 -30.18 24.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.847 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -118.19 24.92 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 54' ' ' VAL . 15.5 tp -128.55 6.53 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.905 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -150.34 148.62 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.866 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.31 143.32 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.89 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -114.61 -49.1 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.02 29.53 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 40.23 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.45 158.78 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 64.14 112.47 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -52.51 -38.26 59.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.54 111.069 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -46.56 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.01 111.144 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -70.84 -35.13 72.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -75.57 -6.19 49.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.866 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -38.91 86.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.91 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -93.18 158.82 36.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.707 . . . . 75.04 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 -177.28 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 72.42 112.358 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -36.2 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.45 -51.92 60.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.845 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 71' ' ' PRO . 78.6 t -61.84 -35.93 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 71.3 111.145 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -77.91 -22.92 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.2 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.8 t -89.21 -23.14 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.3 110.902 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -95.56 25.15 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 63.33 110.908 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.41 134.27 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.117 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -135.76 -176.11 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.9 -59.22 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.068 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 55.31 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -53.73 -51.79 62.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.89 -54.17 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.1 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -53.33 -45.97 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.98 -49.51 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 83' ' ' ALA . 11.6 mt -54.06 -52.33 61.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.2 mmt -63.08 -33.29 75.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.901 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 88' ' ' LEU . 1.5 tm? -61.17 -53.1 61.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.97 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.31 111.079 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.38 79.43 60.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 74.41 110.925 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.717 2.278 . . . . 71.34 112.361 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t -59.37 -21.29 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.9 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -19.33 46.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.33 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.5 142.76 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -50.78 147.6 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.871 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.509 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 21.4 mtm105 -153.35 160.66 30.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 73.24 110.86 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.3 Cg_endo -69.81 170.07 60.48 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 -1.813 . . . . 63.23 112.344 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 105' ' ' LEU . 92.2 t -123.88 127.89 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.57 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -107.54 122.42 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.887 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -108.53 140.71 41.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.899 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -172.58 127.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 53.99 27.56 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 73.03 110.893 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -45.1 3.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.761 -0.733 . . . . 31.54 112.577 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -61.71 128.12 34.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 41.15 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.721 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.3 tp -97.08 152.46 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.1 mtm -131.1 146.53 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.893 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.86 135.47 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 166.05 21.79 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.452 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -144.45 156.06 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 74.21 110.82 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -51.41 160.8 0.9 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 73.41 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 72.25 112.332 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.28 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.06 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.07 -49.18 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.995 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.65 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.988 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.55 -50.53 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 54.12 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -27.5 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -82.36 -41.43 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.925 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.874 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 33.4 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.99 0.424 . . . . 54.24 111.092 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.461 HG23 ' HB ' ' A' ' 33' ' ' THR . 15.6 m -119.68 130.03 54.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 55.12 111.106 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -115.11 137.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 62.44 111.17 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -114.82 149.31 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 60.44 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.76 -158.42 20.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 61.14 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 14' ' ' ASN . 43.8 pt -144.8 174.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 72.24 111.096 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -102.9 26.24 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.923 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' A' ' 12' ' ' ILE . 49.4 t30 -122.91 24.82 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 43.33 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -138.68 178.16 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.09 -30.54 5.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 54.43 110.85 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -52.4 -34.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.165 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 74.7 mmm -62.71 -40.32 96.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.55 -51.5 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 54.5 110.909 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -62.12 -45.4 93.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 71.32 110.877 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -59.43 -51.94 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 53.12 111.149 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -56.82 -48.99 76.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.51 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -61.66 -37.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.069 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.81 -35.62 78.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -75.0 -51.35 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 70.24 110.961 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -31.78 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.895 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.24 -43.24 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -62.31 -17.13 57.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.819 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.85 22.66 20.13 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 61.3 112.512 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 25' ' ' LEU . 25.7 mt -107.43 146.58 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 74.32 111.173 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.91 109.56 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.875 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.01 142.72 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.926 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 8' ' ' THR . 3.3 m -82.96 113.38 20.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 70.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -77.17 120.47 22.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -125.13 122.6 37.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.792 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.65 132.6 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.919 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CD1' HD23 ' A' ' 42' ' ' LEU . 20.2 m-85 -68.72 -45.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.917 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -74.12 -48.07 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -56.07 -46.7 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.32 -74.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.828 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 163.76 10.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 54.13 112.501 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -138.19 113.53 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 61.22 110.909 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.3 176.81 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 53.01 110.863 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.79 -32.82 74.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 54.41 111.14 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.48 -48.27 81.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -47.1 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.124 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.33 -50.43 74.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 72.53 110.884 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.06 -46.56 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 70.5 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -55.18 -43.86 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.867 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 105' ' ' LEU . 20.6 m-85 -73.42 -32.3 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.43 -37.24 84.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 70.24 110.929 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.94 -38.53 79.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.94 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -78.82 -26.75 44.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -147.19 133.32 9.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 51.22 111.125 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.2 Cg_endo -69.86 147.02 61.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 74.41 112.38 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.683 ' O ' HD23 ' A' ' 60' ' ' LEU . 64.9 p-90 -52.99 -38.57 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.21 -26.31 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.837 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -118.65 26.81 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 105' ' ' LEU . 10.0 tp -132.73 13.57 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 61.44 110.938 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.25 149.43 30.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.895 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.571 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.01 140.44 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.864 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -112.27 -55.34 2.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.63 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 40.23 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.48 161.85 16.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 64.14 112.429 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.2 p -57.72 -31.8 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 74.54 111.168 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.01 111.08 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -75.15 -34.86 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.02 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -81.48 -4.26 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -60.39 -19.59 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.117 HD22 HG11 ' A' ' 74' ' ' VAL . 13.6 mt -117.46 156.53 49.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 75.04 110.901 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.74 177.4 5.61 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 72.42 112.355 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.37 -35.62 79.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.76 -51.76 63.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.844 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.117 HG11 HD22 ' A' ' 70' ' ' LEU . 77.9 t -60.81 -55.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.3 111.126 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.646 ' NH2' HG21 ' A' ' 78' ' ' VAL . 19.2 mmm180 -58.12 -23.59 55.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 70.2 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -78.44 -16.63 57.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.827 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -93.2 17.3 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 63.33 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.646 HG21 ' NH2' ' A' ' 75' ' ' ARG . 85.3 t -81.23 136.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 61.22 111.134 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -137.5 -179.16 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.883 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -61.76 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 60.14 111.125 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.58 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -51.12 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.871 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.3 -49.95 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.126 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -62.51 -35.24 78.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.94 -40.34 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.39 -42.74 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 33.3 mmt -72.24 -34.05 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.897 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.3 tm? -67.36 -57.87 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.63 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.136 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -131.54 74.52 78.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.691 . . . . 74.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.72 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 71.34 112.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 p -60.1 -25.4 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 60.53 110.846 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.4 mtt -80.79 -19.32 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 91' ' ' PRO . 93.2 t -51.75 136.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 75.05 111.115 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -52.02 163.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.932 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -176.93 159.58 1.5 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 73.24 110.898 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 52.8 Cg_endo -69.81 147.09 84.04 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 -1.786 . . . . 63.23 112.277 0.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' HD12 ' A' ' 99' ' ' LEU . 94.2 t -101.74 135.58 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 75.11 111.136 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 98' ' ' VAL . 10.6 mp -117.44 125.16 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.936 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -111.03 124.19 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -140.96 112.14 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.895 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.23 28.04 10.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.03 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -42.6 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 31.54 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -60.3 129.09 39.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 41.15 110.851 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 59' ' ' LEU . 6.8 tp -103.87 140.23 37.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.918 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.4 mtp -132.18 156.84 45.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.854 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.33 145.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.18 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.43 175.55 7.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.53 155.84 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 74.21 110.925 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -51.73 160.72 1.01 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.492 0.663 . . . . 73.41 110.95 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.89 0.62 Allowed 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.664 2.243 . . . . 72.25 112.356 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.92 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -69.27 -48.8 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.54 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.21 -48.66 75.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.935 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.39 -46.72 82.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.54 84.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 72.23 111.085 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.31 90.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.947 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.85 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 99' ' ' LEU . 59.9 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.916 0.389 . . . . 54.24 111.156 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -108.53 124.11 49.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 55.12 111.239 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.0 tt -114.7 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -109.53 157.8 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.843 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.97 -160.18 23.0 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.494 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.04 176.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 72.24 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -80.67 -56.16 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.8 73.57 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.2 149.2 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 62.11 110.856 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.38 -32.71 8.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 54.43 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 m -53.8 -45.02 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.53 111.097 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 81.6 mmm -51.8 -38.93 57.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.88 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.77 -51.53 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.5 110.898 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -64.84 -42.29 95.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 71.32 110.854 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.38 92.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 53.12 111.106 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -65.51 -49.38 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 70.51 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -57.42 -37.33 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.45 111.196 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -68.5 -55.14 12.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.41 -40.35 86.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -69.71 -45.53 68.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.956 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.87 -45.02 82.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.845 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.87 -17.03 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.57 18.77 34.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.493 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -107.54 148.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 74.32 111.085 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -114.5 121.5 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.849 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.56 153.29 27.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.947 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.59 108.26 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 70.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -78.45 118.98 21.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 74.4 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -124.48 105.18 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.891 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.75 132.34 34.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 70.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.707 ' CD1' HD23 ' A' ' 42' ' ' LEU . 32.9 m-85 -71.39 -30.56 66.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.934 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -74.55 -59.01 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 74.3 110.902 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -54.18 -47.49 71.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.923 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.873 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.03 99.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.466 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -66.22 130.83 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 61.22 110.936 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.632 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -118.06 166.74 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.01 110.863 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.22 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.05 -50.75 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 65.44 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -62.1 -49.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 73.34 111.139 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -54.36 -49.65 69.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.978 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.52 -47.08 86.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.5 110.85 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -55.51 -44.47 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.816 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 105' ' ' LEU . 23.2 m-85 -73.17 -27.71 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.22 -37.85 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.943 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.74 -44.99 63.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.885 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.521 HG21 ' O ' ' A' ' 103' ' ' GLY . 17.7 p -72.5 -33.01 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 105' ' ' LEU . 59.0 t -137.94 133.35 17.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 51.22 111.144 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 74.41 112.386 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 44.9 p-90 -56.41 -24.82 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.14 -32.72 74.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 74.32 110.949 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.41 28.99 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 105' ' ' LEU . 19.6 tp -114.82 -17.27 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 61.44 110.942 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -127.75 148.4 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.921 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.73 143.96 11.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.868 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -38.63 5.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.94 -22.92 18.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 40.23 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.36 146.43 15.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.465 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -51.58 -33.63 33.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 74.54 111.132 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 m -53.06 -37.08 61.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 75.01 111.115 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -78.32 -34.59 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 75.02 110.857 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -80.76 -3.92 52.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.815 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -59.94 -20.62 58.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -111.95 157.65 39.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.629 0.728 . . . . 75.04 110.917 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.72 179.24 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 72.42 112.385 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -71.5 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 64.42 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -73.53 -51.86 15.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 71' ' ' PRO . 75.9 t -58.22 -55.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 71.3 111.161 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' HG12 ' A' ' 78' ' ' VAL . 18.3 mmm180 -58.23 -24.93 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -78.1 -19.7 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.911 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.16 24.1 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 63.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 75' ' ' ARG . 11.5 p -88.59 135.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.11 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -142.94 -171.84 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.01 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.14 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.12 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 55.31 111.106 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -48.83 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.856 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -49.09 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.1 111.061 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -63.78 -36.83 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.51 -43.96 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.01 -48.61 75.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.535 ' HB3' HD21 ' A' ' 47' ' ' LEU . 32.2 mmt -66.88 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.833 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.0 tt -66.45 -48.03 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -48.17 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.061 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -125.67 76.81 70.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 74.41 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.574 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.77 -7.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 71.34 112.357 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -66.27 -11.26 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.53 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -79.7 -19.19 49.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.906 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.5 m -56.51 158.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.124 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -69.51 166.55 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 64.41 110.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -165.48 156.67 12.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 73.24 110.849 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.81 160.74 87.66 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.736 -1.777 . . . . 63.23 112.337 0.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.1 128.96 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 75.11 111.132 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 100' ' ' GLU . 5.3 tt -116.89 139.06 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.928 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.5 tm-20 -119.06 143.05 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -172.06 124.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 62.76 36.98 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.521 ' O ' HG21 ' A' ' 53' ' ' THR . . . 66.35 17.4 66.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 31.54 112.53 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 41.15 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.2 tp -96.98 140.77 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.3 mtm -130.34 149.26 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.898 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.94 142.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.154 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 171.82 10.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 74.34 112.504 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.78 156.03 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 74.21 110.929 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -55.02 159.26 3.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 73.41 110.981 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 72.25 112.378 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.73 80.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -72.16 -48.86 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.952 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -56.06 -42.9 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.881 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.57 -50.48 36.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.12 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.75 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.23 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -81.39 -56.31 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.88 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.929 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 31' ' ' ASP . 10.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.908 0.385 . . . . 54.24 111.103 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 26.9 m -129.19 145.45 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 55.12 111.123 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 33' ' ' THR . 10.2 tt -115.15 137.98 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.092 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -110.13 133.87 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.0 -161.75 13.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.62 -0.8 . . . . 61.14 112.465 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 37' ' ' TYR . 38.9 pt -131.54 168.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 72.24 111.133 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -109.81 37.61 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -140.15 46.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 43.33 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.24 -178.43 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.11 110.877 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.16 -31.33 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 54.43 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -52.25 -42.4 63.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.53 111.073 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -38.63 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.34 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -56.8 -51.58 68.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 54.5 110.935 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.875 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -46.33 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 53.12 111.11 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -62.7 -49.28 75.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 70.51 110.847 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.42 -33.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.45 111.16 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -53.52 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.25 110.927 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -62.33 -35.53 79.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.939 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.65 -51.45 16.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.911 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -54.86 -45.77 74.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.41 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.64 -16.89 63.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.814 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 48.32 9.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.824 -0.703 . . . . 61.3 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 25' ' ' LEU . 74.6 mt -105.83 138.57 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 74.32 111.145 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 33.6 t70 -81.16 105.85 12.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.851 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.37 134.84 19.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.96 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 9' ' ' ILE . 3.1 m -89.24 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -90.21 124.51 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 8' ' ' THR . 0.3 OUTLIER -128.19 124.0 35.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.838 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.79 151.41 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 70.42 110.819 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.692 ' CD1' HG22 ' A' ' 12' ' ' ILE . 10.3 p90 -57.85 -33.03 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.95 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -87.04 -53.12 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.935 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -53.99 -47.39 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 74.4 110.875 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.75 -24.84 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 71.13 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.63 97.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 54.13 112.435 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -79.12 110.07 14.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 61.22 110.898 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -107.43 176.77 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 53.01 110.845 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -60.54 -42.68 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 54.41 111.171 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.93 -50.59 66.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 65.44 110.876 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.43 -50.8 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.159 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.28 -44.91 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.864 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -63.5 -50.1 70.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.863 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -55.26 -39.14 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.836 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.6 m-85 -72.98 -36.65 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.14 110.899 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -65.21 -37.32 86.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.909 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -67.9 -40.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.917 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -76.71 -30.9 56.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 72.44 111.118 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -142.24 133.33 12.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 51.22 111.146 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.3 Cg_endo -69.81 146.93 61.4 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.77 2.313 . . . . 74.41 112.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -54.8 -28.58 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.954 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.64 -32.39 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.87 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -122.31 29.01 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.93 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 54' ' ' VAL . 6.5 tp -121.34 -40.68 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.901 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -99.1 146.19 26.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.44 110.888 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.67 144.3 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.874 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.63 -44.57 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.832 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.68 -21.76 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 40.23 111.096 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.19 176.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 64.14 112.478 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 p -80.46 -35.66 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 74.54 111.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 p -53.13 -46.73 68.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.01 111.144 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -73.69 -35.01 65.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 75.02 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -63.86 -18.49 64.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 73.52 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -60.92 -52.58 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.844 HD22 HG11 ' A' ' 74' ' ' VAL . 41.8 mt -61.65 156.21 55.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 75.04 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.84 179.12 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.605 2.203 . . . . 72.42 112.374 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -71.35 -31.31 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 64.42 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.44 -51.59 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.821 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.844 HG11 HD22 ' A' ' 70' ' ' LEU . 94.2 t -66.63 -40.72 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.3 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.42 -29.03 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.0 -18.02 19.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.869 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -92.94 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 63.33 110.854 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.76 131.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.118 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -120.02 178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.874 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.98 -59.84 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 60.14 111.066 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -57.25 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 55.31 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -49.91 67.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.853 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.44 60.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 62.1 111.082 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.2 -42.94 92.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.61 -47.59 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.885 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.91 -53.62 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.32 -32.62 74.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.819 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 44' ' ' ALA . 9.9 tt -61.39 -53.92 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 -48.22 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.105 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -122.58 79.18 47.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 74.41 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 71.34 112.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 p -58.45 -20.74 47.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 60.53 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 mtp -80.35 -19.26 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.33 110.937 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 143.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.05 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -51.15 162.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.927 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.531 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 3.0 ptt-85 -174.71 155.82 2.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 73.24 110.825 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.5 Cg_endo -69.83 154.51 93.49 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 -1.806 . . . . 63.23 112.296 0.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.706 HG22 ' HD2' ' A' ' 95' ' ' LYS . 95.2 t -114.99 126.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.086 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -112.34 119.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.2 110.889 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.94 114.28 28.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.962 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -122.04 111.21 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.82 33.34 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.03 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.25 -41.41 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 31.54 112.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -60.74 133.88 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 41.15 110.854 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 50' ' ' PHE . 6.7 tp -99.54 134.03 43.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.948 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.02 141.83 49.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.852 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.671 HG12 ' HD3' ' A' ' 95' ' ' LYS . 22.6 m -92.17 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.01 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.77 164.72 26.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 74.34 112.496 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -143.0 155.63 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 74.21 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -52.33 160.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 73.41 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 72.25 112.326 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.095 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -69.45 -49.8 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.54 110.962 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.36 -40.27 67.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.933 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.58 -50.24 39.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 54.12 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.79 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -82.44 -39.92 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.91 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.907 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.909 0.385 . . . . 54.24 111.175 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.41 HG23 ' HB ' ' A' ' 33' ' ' THR . 19.7 m -108.95 126.06 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 55.12 111.125 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tt -114.86 137.8 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 62.44 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -113.13 149.67 33.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.17 -162.29 25.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 61.14 112.445 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 pt -144.47 144.17 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 72.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -74.82 -11.08 60.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.937 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.19 39.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 43.33 110.897 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.0 t -157.08 121.76 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 62.11 110.879 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.846 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -51.8 -42.69 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.151 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.885 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 23' ' ' ILE . 19.9 ttmt -52.77 -51.21 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 54.5 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -53.72 -50.46 65.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.954 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -51.99 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 53.12 111.119 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.47 -49.14 78.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.851 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 19' ' ' LYS . 25.5 mt -58.46 -34.32 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.45 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -69.29 -50.1 49.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.75 -46.89 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.866 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.86 -36.11 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.3 -45.47 94.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -66.5 -16.98 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 25.15 14.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 61.3 112.535 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.2 mt -107.11 149.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.875 0.369 . . . . 74.32 111.137 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.91 110.52 21.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.842 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -115.23 152.21 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.01 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.41 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -82.58 108.2 15.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 70.0 111.11 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.11 118.04 19.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -123.68 116.06 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.865 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.53 132.95 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 70.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.521 ' HD1' HD23 ' A' ' 42' ' ' LEU . 13.1 m-85 -71.31 -34.87 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.89 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -50.36 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -54.19 -47.46 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.905 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.85 -25.89 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.9 111.16 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 54.13 112.518 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.88 112.47 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 61.22 110.875 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -104.32 176.5 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 53.01 110.877 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.44 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.41 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.6 -48.42 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.44 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -47.91 67.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -57.68 -50.72 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.858 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.09 -50.12 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 70.5 110.841 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -55.09 -44.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.874 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.65 -30.89 67.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.927 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -67.78 -40.87 83.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 70.24 110.856 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -67.86 -49.42 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 p -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 72.44 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -143.45 133.32 11.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 51.22 111.06 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.4 Cg_endo -69.75 140.74 43.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 74.41 112.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HB3' HD21 ' A' ' 51' ' ' LEU . 58.6 p-90 -55.44 -27.4 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 72.32 110.917 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.82 -26.72 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.913 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -121.93 29.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.3 tp -131.34 4.02 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 61' ' ' ASN . 2.0 pp -148.07 130.47 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.634 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.05 143.96 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.911 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -29.85 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.87 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.55 29.75 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 40.23 111.175 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.97 168.55 12.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.704 -0.76 . . . . 64.14 112.46 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -53.0 -31.49 41.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 74.54 111.1 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -52.79 -51.31 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 75.01 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -66.55 -34.43 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -76.54 -6.26 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.9 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -64.18 -52.74 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -84.45 158.91 59.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.708 . . . . 75.04 110.924 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.84 179.58 3.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 72.42 112.337 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.39 -27.21 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.895 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.8 -51.86 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.834 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 71' ' ' PRO . 76.1 t -59.8 -47.93 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 71.3 111.101 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -66.4 -22.8 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -78.07 -22.81 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -94.95 22.07 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.13 130.57 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.144 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -142.04 -174.56 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.72 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.099 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.35 -58.22 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 55.31 111.136 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -45.15 71.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 73.02 110.906 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -53.76 -49.08 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 62.1 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -61.78 -45.19 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.09 -42.64 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 75.34 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.3 mt -61.54 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 74.11 110.912 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 47' ' ' LEU . 31.7 mmt -61.41 -32.73 72.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.868 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.53 -48.46 72.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 71.42 110.901 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.17 -48.2 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.1 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.42 78.63 54.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 74.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.87 -7.75 21.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 71.34 112.322 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -63.94 -15.42 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.53 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.87 -19.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 71.33 110.926 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 91' ' ' PRO . 90.4 t -55.35 133.78 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.05 111.093 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.661 ' HD3' HG13 ' A' ' 107' ' ' VAL . 18.9 ptpt -56.66 158.62 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.903 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.2 ptp85 -169.97 159.38 6.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 73.24 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.66 161.22 86.33 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.743 -1.774 . . . . 63.23 112.412 -0.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.643 HG11 HD21 ' A' ' 105' ' ' LEU . 63.2 t -123.48 143.48 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.08 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mp -121.8 143.61 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -121.1 144.62 48.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 64.22 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -171.25 119.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.93 32.88 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.867 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.22 -45.08 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 31.54 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.84 130.45 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 41.15 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.643 HD21 HG11 ' A' ' 98' ' ' VAL . 7.4 tp -98.17 150.85 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 75.31 110.938 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 ttm -124.79 143.31 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.903 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.661 HG13 ' HD3' ' A' ' 95' ' ' LYS . 41.2 t -92.09 135.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.01 111.168 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.45 171.01 11.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 74.34 112.487 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -145.56 153.71 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 74.21 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -52.65 161.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 73.41 110.955 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 -48.46 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 72.25 112.355 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.77 92.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.11 -48.83 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 63.54 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.56 -47.09 76.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.997 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -47.49 78.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 54.12 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.82 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 72.23 111.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -29.95 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.856 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.928 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 32' ' ' TYR . 14.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.955 0.407 . . . . 54.24 111.088 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.5 m -115.79 134.62 54.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 55.12 111.059 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 33' ' ' THR . 11.2 tt -114.62 137.72 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.168 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -111.52 133.75 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 60.44 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.89 -163.67 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 61.14 112.552 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 pt -136.46 176.59 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 72.24 111.125 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -93.58 -25.67 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.927 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -86.07 55.07 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 43.33 110.913 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -157.13 138.08 13.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.821 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -35.64 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 54.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -43.28 61.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.108 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mmm -51.7 -47.11 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.862 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -50.86 -51.63 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 54.5 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -61.09 -40.01 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.915 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.6 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 53.12 111.087 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.09 86.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.51 110.883 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -56.35 -38.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.11 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -69.43 -55.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.21 -42.26 81.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 70.24 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.23 -46.89 78.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -59.02 -38.59 79.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -71.91 -16.95 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.849 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 31.39 23.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 61.3 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mt -107.48 149.17 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.32 111.122 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.43 132.74 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.877 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.542 ' CE1' HG11 ' A' ' 7' ' ' VAL . 4.2 m-85 -139.83 137.98 35.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 70.01 110.885 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -83.3 110.08 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.13 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.84 117.09 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.852 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.51 123.51 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.22 132.35 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -57.03 -40.56 76.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.969 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -50.44 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.876 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -54.58 -47.31 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.873 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.42 -51.69 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.86 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 117.23 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.499 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.71 125.65 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 61.22 110.962 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.0 177.08 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 53.01 110.906 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.38 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.068 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -51.31 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 65.44 110.913 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -58.73 -50.09 75.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.161 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.35 -54.74 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.927 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.55 -47.68 69.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 70.5 110.884 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -56.86 -42.65 80.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.873 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -71.27 -27.55 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.951 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -59.1 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 70.24 110.924 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -55.14 -30.11 59.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.6 m -84.4 -32.54 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.44 111.149 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.4 t -147.85 133.27 9.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 51.22 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.8 Cg_endo -69.73 139.14 39.6 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.742 2.295 . . . . 74.41 112.413 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -54.89 -26.64 37.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 72.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.88 -32.62 66.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.45 27.57 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 73.33 110.867 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' HB ' ' A' ' 54' ' ' VAL . 5.4 tp -115.59 -30.04 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -117.12 148.63 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.942 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.97 142.05 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 71.33 110.905 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -106.64 -28.51 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.84 29.62 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.062 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.34 158.4 18.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.446 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -60.01 -31.84 70.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 74.54 111.144 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.7 p -53.69 -48.3 69.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.17 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -68.59 -36.76 79.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.93 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -77.29 -4.6 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.92 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.73 -36.63 79.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.082 HD22 HG11 ' A' ' 74' ' ' VAL . 12.9 mt -99.63 156.54 35.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 75.04 110.869 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.72 -177.65 1.96 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 72.42 112.352 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.4 -38.75 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 64.42 110.852 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -51.59 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.082 HG11 HD22 ' A' ' 70' ' ' LEU . 95.6 t -64.72 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -69.89 -25.41 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.0 t -77.97 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.3 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.67 26.01 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.79 132.34 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 61.22 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.99 179.83 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.81 66.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 60.14 111.101 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -58.34 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 55.31 111.114 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -54.01 -50.36 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.837 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.48 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 62.1 111.069 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -56.61 -44.61 81.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.12 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.14 -43.91 78.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.805 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.21 -36.49 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.835 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.73 -58.22 9.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.901 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.12 59.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.31 111.099 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -114.31 73.74 2.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 74.41 110.928 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.573 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.75 -14.59 36.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 71.34 112.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.7 p -66.89 -11.06 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.1 mtp -80.14 -15.3 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.871 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.8 m -60.99 165.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.05 111.084 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -78.6 165.08 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.847 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -174.61 154.94 1.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.643 0.735 . . . . 73.24 110.886 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.5 Cg_endo -69.76 157.02 92.5 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 -1.801 . . . . 63.23 112.39 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.447 HG11 HD11 ' A' ' 105' ' ' LEU . 97.0 t -120.81 135.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.51 124.19 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 64.2 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -108.22 130.33 55.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.988 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -160.48 116.39 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.49 49.87 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.808 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 60.84 21.81 59.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 31.54 112.53 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -113.14 124.57 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 41.15 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.447 HD11 HG11 ' A' ' 98' ' ' VAL . 5.2 tp -100.73 126.81 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.897 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttm -121.26 140.17 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.891 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.3 142.15 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 75.01 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.47 169.55 14.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 74.34 112.5 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -141.78 155.06 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 74.21 110.889 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -53.98 160.69 2.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.514 0.673 . . . . 73.41 110.917 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.59 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.612 2.208 . . . . 72.25 112.412 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.34 82.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.15 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -70.66 -47.66 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 63.54 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.48 -42.43 78.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.906 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.64 -46.8 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.78 -48.25 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.038 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -47.22 71.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 72.22 110.948 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 18.5 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.894 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.896 0.379 . . . . 54.24 111.153 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.5 m -106.51 127.46 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 55.12 111.082 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.81 137.57 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 62.44 111.131 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.9 157.97 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 60.44 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.06 -161.58 25.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.441 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 pt -140.65 176.57 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 72.24 111.091 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -80.58 -54.82 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -74.56 74.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -157.07 157.36 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.842 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.39 -29.17 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 54.43 110.852 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -43.09 97.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.081 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 82.5 mmm -51.93 -36.41 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.807 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -61.48 -51.39 68.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 54.5 110.813 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -60.19 -46.88 88.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.62 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 53.12 111.052 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.98 -48.97 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.51 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.5 -37.04 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 74.45 111.092 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -66.72 -55.9 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.4 mm? -59.85 -41.55 91.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 70.24 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.99 -41.2 82.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.08 -45.92 92.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.74 -17.06 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.827 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.29 16.29 27.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 61.3 112.478 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.35 148.35 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 111.129 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.26 124.23 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.933 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.6 156.4 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.896 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.47 107.15 17.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 70.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.14 116.49 17.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.829 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.12 123.77 40.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.35 126.63 46.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CD1' HD23 ' A' ' 42' ' ' LEU . 35.9 m-85 -60.13 -37.4 79.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.947 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -74.29 -58.14 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -54.33 -47.44 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.894 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -68.85 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.13 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.47 98.25 1.27 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.855 -0.688 . . . . 54.13 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -80.53 126.85 31.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 61.22 110.958 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.55 ' N ' HD13 ' A' ' 42' ' ' LEU . 15.9 t0 -118.3 176.19 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 53.01 110.898 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -61.0 -46.89 88.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 54.41 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.98 -48.54 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 65.44 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.667 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.1 -51.35 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.113 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.6 OUTLIER -53.29 -51.34 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.961 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.82 -49.41 77.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.5 110.823 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -59.42 -30.59 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.52 110.899 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.9 m-85 -73.29 -48.61 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -64.02 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.24 110.865 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -66.17 -24.42 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.892 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 103' ' ' GLY . 18.1 m -96.16 -32.43 12.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.11 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 59' ' ' LEU . 57.5 t -133.55 133.34 22.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 51.22 111.13 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.73 137.1 34.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.731 2.287 . . . . 74.41 112.386 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 51' ' ' LEU . 63.7 p-90 -52.47 -29.57 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.968 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -56.25 -34.24 66.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.85 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -123.06 28.82 7.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 73.33 110.889 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 54' ' ' VAL . 2.3 tt -114.25 -24.73 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.933 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 61' ' ' ASN . 3.0 pp -116.62 149.76 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.951 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.57 143.82 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.936 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -45.67 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.94 29.56 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 40.23 111.106 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.62 148.08 18.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.493 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -51.56 -31.74 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 74.54 111.199 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.198 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.12 -34.57 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -76.34 -5.32 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.59 -28.32 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.87 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.546 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -91.31 159.0 40.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 75.04 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.84 178.94 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.641 2.228 . . . . 72.42 112.43 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -71.23 -30.13 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 64.42 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.23 -46.53 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.843 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 HD12 ' A' ' 70' ' ' LEU . 83.7 t -72.37 -37.0 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 71.3 111.123 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -69.76 -25.44 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -96.2 -24.85 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.906 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -97.0 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 63.33 110.872 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.43 130.95 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.168 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -178.97 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.864 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.96 -56.89 11.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 60.14 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.33 -56.6 12.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.083 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -47.59 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.819 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.46 -54.36 27.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.1 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -57.35 -46.92 82.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.798 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.96 -44.86 91.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.15 -54.32 48.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.585 ' HB3' HD21 ' A' ' 47' ' ' LEU . 30.2 mmt -59.09 -32.79 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 72.4 110.876 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.1 tp -65.83 -48.09 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.41 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.111 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 82.16 54.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.75 -5.35 16.0 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.726 2.284 . . . . 71.34 112.33 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -63.93 -14.18 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.814 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -17.77 53.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.899 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 91' ' ' PRO . 85.3 t -55.6 138.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.125 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -51.53 168.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -172.88 154.98 2.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.723 . . . . 73.24 110.889 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.1 Cg_endo -69.73 164.91 77.93 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 -1.798 . . . . 63.23 112.373 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.43 132.18 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.172 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -116.05 130.34 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -105.01 135.44 46.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 64.22 110.891 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -160.97 125.64 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.866 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t70 55.78 27.8 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' HG21 ' A' ' 53' ' ' THR . . . 80.04 18.07 73.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.804 -0.713 . . . . 31.54 112.572 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -119.41 139.7 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 41.15 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.84 144.11 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.975 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 57.2 tpp -131.34 143.98 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.08 137.56 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.01 111.167 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.46 171.1 11.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 74.34 112.446 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -135.27 155.99 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 74.21 110.887 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -52.98 160.46 1.5 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.541 0.686 . . . . 73.41 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 72.25 112.331 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.23 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.34 -47.66 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 63.54 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.8 -42.78 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.944 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.42 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 54.12 110.879 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.02 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.043 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -81.47 -39.85 24.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 73.25 110.89 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 96.5 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.94 0.4 . . . . 54.24 111.096 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -108.12 127.37 53.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 55.12 111.188 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -114.71 137.48 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 62.44 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.07 139.22 47.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 60.44 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.94 -166.77 16.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 61.14 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.67 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.3 pt -130.16 176.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 72.24 111.131 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -95.88 -25.45 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.899 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.4 59.13 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 43.33 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 12' ' ' ILE . 9.9 t -155.49 156.46 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.11 110.895 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -32.85 6.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 54.43 110.88 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -51.82 -29.77 20.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.152 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 mtp -55.49 -45.16 77.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 54.5 110.947 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -62.66 -45.55 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.905 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -47.64 81.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 53.12 111.084 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.79 -49.08 77.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 70.51 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mt -58.11 -36.41 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.45 111.061 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.9 -55.63 12.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.894 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.13 -43.25 95.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 70.24 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -43.27 90.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.83 -43.58 98.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.954 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -65.67 -16.94 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.795 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.82 12.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 61.3 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.33 142.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.32 111.15 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -91.38 107.93 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.825 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.626 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.96 130.1 56.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 70.01 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -85.49 114.39 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 70.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.16 117.66 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.913 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.04 123.05 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.07 140.89 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.67 ' CD1' HG22 ' A' ' 12' ' ' ILE . 30.4 p90 -51.73 -32.91 32.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.989 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -85.68 -46.37 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.3 110.874 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -54.11 -47.44 71.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 74.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.44 -25.22 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.883 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 97.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 54.13 112.442 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.94 110.16 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 61.22 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.48 176.37 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.914 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -55.65 -42.71 75.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 54.41 111.02 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.08 -51.41 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 65.44 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.01 -51.28 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 73.34 111.147 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.5 OUTLIER -54.8 -46.47 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.91 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -59.71 -51.9 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -56.99 -37.09 71.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CD1' HD22 ' A' ' 105' ' ' LEU . 18.1 m-85 -73.38 -31.61 64.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -52.56 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -58.15 -26.88 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.917 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 m -88.33 -30.35 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.207 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.7 t -148.59 133.24 8.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 51.22 111.149 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.433 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.76 139.16 39.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 74.41 112.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -52.8 -29.71 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.907 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.25 -32.52 48.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.885 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -120.64 25.69 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 54' ' ' VAL . 7.3 tp -116.99 -28.2 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 61.44 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -116.45 149.52 39.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.907 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.04 143.07 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.887 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -106.45 -56.61 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.907 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.68 25.88 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 40.23 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.39 162.42 26.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 64.14 112.433 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.8 p -64.77 -34.13 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 74.54 111.132 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -41.41 65.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.01 111.169 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.07 -35.36 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -73.65 -12.7 60.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.98 72.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 74' ' ' VAL . 7.8 mp -86.08 157.91 56.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 75.04 110.891 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 179.38 3.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.649 2.232 . . . . 72.42 112.327 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.36 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.9 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.41 -51.69 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.846 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.724 HG12 HD23 ' A' ' 70' ' ' LEU . 76.5 t -65.64 -30.61 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.072 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -74.79 -25.55 59.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -94.17 -24.99 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.3 110.881 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.13 36.57 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 63.33 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 ' OG ' ' A' ' 82' ' ' SER . 11.5 p -101.36 130.62 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 61.22 111.177 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.33 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.21 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.14 111.126 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.74 -58.38 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 55.31 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.82 -52.1 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.863 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.18 -50.62 58.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 62.1 111.084 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -60.79 -35.43 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.29 -44.04 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 82' ' ' SER . 4.2 mm? -61.41 -45.7 93.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.928 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.514 ' CB ' HD21 ' A' ' 47' ' ' LEU . 36.7 mmt -72.48 -32.97 66.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.894 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 44' ' ' ALA . 7.4 tt -62.11 -58.43 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.92 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.453 ' N ' HD23 ' A' ' 88' ' ' LEU . . . -75.05 -46.09 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 72.31 111.043 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.39 75.92 2.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 74.41 110.893 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.83 -8.29 23.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 71.34 112.354 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 t -63.49 -16.39 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 60.53 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -19.41 46.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.943 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 91' ' ' PRO . 42.5 t -60.46 148.92 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.05 111.116 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -67.99 122.33 17.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.52 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 7.7 mmm180 -123.36 157.39 61.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 73.24 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.74 176.68 31.55 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.793 . . . . 63.23 112.378 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.427 HG13 ' HG ' ' A' ' 105' ' ' LEU . 95.2 t -129.28 134.7 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.66 121.75 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.2 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.82 123.48 50.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -171.67 141.6 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.762 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 53.76 35.86 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.877 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.0 17.11 50.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 31.54 112.45 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -119.66 125.62 49.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.344 . . . . 41.15 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.0 tp -96.7 135.81 38.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.969 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.4 tpp -126.78 145.66 50.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.87 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.93 140.29 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.091 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.4 131.57 44.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.491 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.96 156.12 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 74.21 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -51.9 159.09 1.47 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.581 0.705 . . . . 73.41 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -48.63 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.628 2.219 . . . . 72.25 112.39 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.38 78.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.114 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.87 -48.04 40.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.38 -43.29 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.929 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.56 -50.49 36.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 54.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.24 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.177 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.68 -38.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.956 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.856 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 52.9 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.899 0.381 . . . . 54.24 111.106 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' HB ' ' A' ' 33' ' ' THR . 94.7 m -120.4 135.03 55.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 55.12 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.78 137.48 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 62.44 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -113.35 143.88 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 60.44 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.27 12.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 61.14 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.761 HG22 ' CD1' ' A' ' 37' ' ' TYR . 41.8 pt -129.04 176.29 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 72.24 111.14 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.44 31.42 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.928 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.43 25.92 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 43.33 110.865 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.9 p -127.04 -174.04 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.905 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.16 -31.44 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 54.43 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -55.06 -54.59 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 64.53 111.142 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mmm -51.93 -40.44 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -56.12 -51.52 67.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 54.5 110.89 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -61.2 -46.79 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 53.12 111.059 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.95 -48.94 78.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 70.51 110.945 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.36 -35.98 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.76 -55.9 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.93 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 30' ' ' ILE . 4.5 mm? -58.56 -46.09 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.922 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.81 -49.35 75.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.925 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.22 -46.12 72.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.918 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.57 -16.98 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.04 41.74 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 61.3 112.506 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 25' ' ' LEU . 21.6 mm -104.09 152.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 74.32 111.111 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.57 96.4 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.874 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.55 130.86 56.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.863 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.583 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.6 OUTLIER -87.56 118.79 27.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 70.0 111.138 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -77.05 111.19 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.847 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.99 114.34 22.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.817 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.05 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.42 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.5 p90 -51.93 -32.35 32.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.924 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.96 -47.05 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -54.18 -46.71 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 74.4 110.89 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -82.88 -51.25 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.6 171.26 25.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 54.13 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -141.23 134.0 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 61.22 110.869 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HD13 ' A' ' 42' ' ' LEU . 4.9 m-20 -124.75 162.34 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 53.01 110.918 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.02 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.135 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.86 -51.21 70.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.617 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -65.3 -51.23 62.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 73.34 111.126 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.67 -50.06 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.883 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.03 -52.54 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.5 110.833 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.9 -32.13 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.89 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.691 ' CE1' HD22 ' A' ' 105' ' ' LEU . 4.1 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.853 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.83 -38.79 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 70.24 110.845 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.46 -50.57 36.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.932 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -67.66 -27.22 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -148.5 133.33 9.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 51.22 111.066 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.71 144.27 53.74 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.68 2.254 . . . . 74.41 112.336 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -52.6 -30.78 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.96 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.7 -31.7 48.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -119.69 26.37 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 73.33 110.966 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.66 -21.86 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 61.44 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.1 pp -123.23 147.82 46.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.933 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.625 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -51.0 143.98 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.852 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -36.34 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.854 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.96 -23.18 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 40.23 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.87 150.22 9.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 64.14 112.525 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.0 p -52.64 -32.55 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 74.54 111.163 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -39.03 62.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.159 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -77.87 -35.65 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.74 -4.38 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.836 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 70' ' ' LEU . 24.6 tttp -60.19 -23.33 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.931 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 74' ' ' VAL . 6.1 mp -119.35 155.6 53.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 75.04 110.978 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.71 155.78 65.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 72.42 112.363 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.4 -32.29 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.44 -51.63 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.851 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 70' ' ' LEU . 55.6 t -67.7 -30.71 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.167 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 78' ' ' VAL . 19.3 mmm180 -73.82 -35.62 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.2 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -66.05 -14.64 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.905 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -78.68 -15.23 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 63.33 110.943 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 75' ' ' ARG . 12.2 p -51.86 134.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -141.41 -179.02 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.02 110.799 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.53 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 60.14 111.109 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.57 -53.55 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.12 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -53.85 -51.09 64.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.8 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.44 -53.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.1 111.131 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -54.41 -46.53 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.896 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.5 mt -59.09 -50.02 75.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.943 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.708 ' HB2' HD21 ' A' ' 47' ' ' LEU . 35.1 mmt -66.53 -32.61 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.949 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.27 -48.42 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.31 111.135 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -125.32 78.73 67.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 74.41 110.839 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.76 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 71.34 112.347 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.681 ' OG ' HG21 ' A' ' 12' ' ' ILE . 6.5 t -66.64 -11.04 51.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 60.53 110.868 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -16.06 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 71.33 110.853 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 91' ' ' PRO . 23.8 m -56.67 165.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.05 111.094 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.647 ' HD3' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -65.46 173.9 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 64.41 110.901 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 9.3 ptt85 -179.74 159.31 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 73.24 110.811 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.76 140.6 61.53 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 63.23 112.326 -0.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 95' ' ' LYS . 84.9 t -95.39 126.77 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.126 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.43 122.65 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.2 110.938 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.663 ' HG3' HD12 ' A' ' 105' ' ' LEU . 3.4 tt0 -107.51 143.14 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.832 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -150.31 110.33 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 74.21 110.867 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t0 59.45 28.01 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.869 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.04 -37.42 3.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.466 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -65.99 132.88 49.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 41.15 110.862 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -103.9 141.09 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.959 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.8 ttm -134.8 153.59 51.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.848 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.639 HG12 ' HG3' ' A' ' 95' ' ' LYS . 19.9 m -91.75 135.36 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.197 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 178.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -141.2 155.79 46.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.984 0.421 . . . . 74.21 110.885 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.47 159.21 1.71 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.628 0.727 . . . . 73.41 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 72.25 112.36 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 74.33 111.12 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -70.25 -48.2 57.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.54 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.51 -42.67 74.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.48 -46.82 63.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.35 89.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.104 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -35.96 67.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.899 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.968 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.858 0.361 . . . . 54.24 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.77 138.65 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 55.12 111.194 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 33' ' ' THR . 10.5 tt -114.71 138.54 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.44 111.066 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.0 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 60.44 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.55 -155.48 7.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.449 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 pt -137.18 176.47 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 72.24 111.186 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -92.14 -25.62 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.893 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -99.35 68.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 43.33 110.872 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 t -156.95 112.39 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 62.11 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -46.12 87.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 54.43 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -51.54 -44.81 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.53 111.154 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.5 mmm -52.94 -45.21 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.818 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -51.79 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -59.82 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.92 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -58.96 -47.99 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.096 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -49.09 79.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.852 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.73 -34.67 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.45 111.136 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -41.15 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -70.08 -50.44 40.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.969 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.4 -35.48 79.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -69.03 -46.77 67.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -66.22 -16.01 63.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 71.45 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.64 41.22 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 61.3 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 25' ' ' LEU . 86.1 mt -102.87 139.33 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 74.32 111.159 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -81.12 130.23 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.882 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -173.29 135.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.939 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 9' ' ' ILE . 94.9 m -91.5 135.12 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -83.05 110.1 17.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.829 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -116.71 123.71 47.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.927 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.06 149.16 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 70.42 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.542 ' HD1' HD23 ' A' ' 42' ' ' LEU . 14.6 m-85 -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -77.13 -49.53 15.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -47.53 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.857 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -81.38 -26.01 35.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.49 139.29 9.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 54.13 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -123.19 117.57 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.333 . . . . 61.22 110.899 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 165.92 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 53.01 110.892 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 88' ' ' LEU . . . -52.58 -41.51 63.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 54.41 111.065 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.52 -50.62 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.44 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.52 -48.86 73.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.179 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -50.29 68.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 72.53 110.869 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.9 -43.93 97.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 70.5 110.874 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -55.13 -46.57 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.918 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 105' ' ' LEU . 29.8 m-85 -72.43 -31.66 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.863 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.24 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.877 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -68.58 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.879 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 m -80.18 -27.42 38.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.148 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.613 ' HB ' HD13 ' A' ' 59' ' ' LEU . 59.7 t -145.55 133.23 10.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 51.22 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.3 Cg_endo -69.68 146.06 59.53 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.736 2.291 . . . . 74.41 112.411 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.668 ' O ' HD23 ' A' ' 60' ' ' LEU . 58.5 p-90 -52.33 -42.1 63.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.877 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -52.0 -30.1 23.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -117.66 26.79 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD13 ' HB ' ' A' ' 54' ' ' VAL . 12.2 tp -132.89 13.46 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 61.44 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.34 147.05 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.874 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.75 141.75 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.929 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 -47.17 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.825 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.97 -19.41 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 40.23 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.41 152.93 6.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 64.14 112.46 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -58.83 -31.86 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 74.54 111.12 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -48.74 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.01 111.159 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -70.04 -34.71 73.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.877 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -76.93 -5.11 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 73.52 110.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.91 -39.37 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -91.9 158.91 39.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 75.04 110.893 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 72.42 112.337 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -71.49 -34.26 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 64.42 110.79 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -66.32 -51.69 54.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.851 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 71' ' ' PRO . 77.0 t -61.67 -35.96 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 71.3 111.136 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -78.31 -24.73 46.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 70.2 110.846 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.9 t -86.65 -24.06 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.815 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.51 24.65 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.8 t -82.8 135.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 61.22 111.109 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.54 178.32 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.873 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 60.14 111.096 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.09 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 55.31 111.125 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -40.85 68.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.852 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 62.1 111.053 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -41.47 96.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.914 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.34 -46.7 75.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.951 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.15 -48.83 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.86 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.5 tt -64.83 -58.09 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 71.42 110.955 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -25.49 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 72.31 111.116 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -133.26 74.04 73.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 74.41 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 71.34 112.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p -58.56 -22.4 55.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 60.53 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -19.38 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.925 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.01 139.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.05 111.114 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 159.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 64.41 110.89 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -173.67 154.34 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.24 110.855 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.0 Cg_endo -69.7 166.17 74.58 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 63.23 112.345 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -129.15 128.53 67.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.075 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -111.86 119.9 40.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 64.2 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.58 138.11 39.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.926 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -174.85 141.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.886 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.01 36.76 27.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.813 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.55 16.04 54.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 31.54 112.53 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -119.67 138.91 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 41.15 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 50' ' ' PHE . 10.2 tp -97.63 130.1 44.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.941 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 38.5 tpp -113.29 142.95 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.5 m -91.65 139.7 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.01 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.35 129.96 40.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.497 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.51 142.0 28.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 74.21 110.862 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.48 159.25 1.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 73.41 110.865 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.591 2.194 . . . . 72.25 112.343 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.78 79.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.1 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.62 -48.64 37.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.918 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.67 -43.32 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.906 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.35 -50.66 36.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.75 66.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.106 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -81.07 -44.76 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 73.25 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.369 . . . . 54.24 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.21 136.57 49.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.064 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' THR . 11.0 tt -114.81 139.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.106 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.63 120.56 41.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 60.44 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.74 -167.79 15.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 61.14 112.488 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -123.75 176.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 72.24 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -96.95 -25.91 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.881 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.98 63.73 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.901 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HB2' HD11 ' A' ' 12' ' ' ILE . 46.2 t -157.0 145.28 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.881 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.04 -40.0 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.836 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -51.65 -40.32 59.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 64.53 111.134 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -32.56 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 72.34 110.835 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.71 -51.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 54.5 110.953 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -60.77 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.831 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.47 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 53.12 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -63.14 -49.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 70.51 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mt -58.47 -36.51 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.45 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.17 -51.02 50.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.92 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.9 mm? -57.45 -48.7 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 70.24 110.925 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -66.78 -34.73 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.967 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.1 -45.75 92.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.919 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.565 ' ND1' HD11 ' A' ' 30' ' ' ILE . 15.7 t-160 -76.4 -16.8 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 71.45 110.824 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 48.75 6.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 61.3 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.565 HD11 ' ND1' ' A' ' 28' ' ' HIS . 50.0 mm -94.75 144.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 74.32 111.133 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.93 102.04 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.845 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.74 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.01 110.88 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 9' ' ' ILE . 27.9 m -96.91 138.04 35.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 70.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -86.2 115.56 23.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 123.83 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.848 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.73 146.03 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CD1' HG22 ' A' ' 12' ' ' ILE . 20.8 p90 -51.95 -33.92 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.904 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -86.48 -46.44 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.939 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -54.34 -29.46 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.888 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.47 -26.66 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.818 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.47 98.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.463 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -83.88 111.21 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 61.22 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.01 177.29 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 53.01 110.888 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.52 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.106 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.5 -51.11 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.932 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -58.51 -49.2 78.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 73.34 111.178 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.61 -45.16 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.93 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.49 -51.19 69.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.873 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -57.62 -36.31 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.916 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 46' ' ' THR . 7.7 m-85 -73.33 -34.76 65.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.4 -40.74 81.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.89 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -69.27 -47.96 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 72.22 110.906 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 m -68.32 -32.5 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.128 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -142.73 133.28 12.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 51.22 111.148 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.76 141.02 44.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.764 2.309 . . . . 74.41 112.355 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -55.28 -27.49 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.24 -33.66 67.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -116.76 26.0 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 tp -117.66 -30.15 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.44 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.4 pp -120.2 136.99 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.44 110.888 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.18 144.51 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.88 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -47.81 2.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.854 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.42 26.74 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 40.23 111.055 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.86 152.94 17.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 64.14 112.445 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -52.05 -32.37 34.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.906 0.384 . . . . 74.54 111.084 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -51.25 62.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 75.01 111.168 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -72.44 -34.86 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -67.02 -14.62 63.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.76 -25.29 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.745 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -81.62 158.27 68.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 75.04 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 176.31 6.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 72.42 112.391 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.58 -38.21 80.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.2 -51.63 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.745 HG12 HD23 ' A' ' 70' ' ' LEU . 74.9 t -67.05 -30.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.132 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -69.92 -26.22 64.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -98.91 -22.9 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.65 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -92.52 131.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.15 -172.0 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.815 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.42 4.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.098 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.04 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.112 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -50.46 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.02 110.811 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -47.84 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.1 111.042 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.42 90.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.828 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.71 -48.06 78.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.05 -53.84 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.952 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.502 ' CB ' HD21 ' A' ' 47' ' ' LEU . 28.3 mmt -64.38 -32.66 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.938 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.09 16.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.31 111.064 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.01 75.05 38.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 74.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.73 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 71.34 112.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -66.81 -11.22 54.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.53 110.808 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 mtp -80.0 -15.59 56.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.896 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.4 m -60.94 148.64 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 75.05 111.145 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -52.55 169.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.905 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -177.79 158.87 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 73.24 110.903 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.71 148.24 86.21 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 -1.774 . . . . 63.23 112.329 0.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.82 129.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.11 111.164 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.18 127.45 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.2 110.907 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.89 128.52 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -142.95 112.06 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.07 27.2 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.866 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.68 -23.93 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.513 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -73.93 125.13 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 41.15 110.852 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.9 tp -99.34 128.68 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.3 ptp -126.14 147.91 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.921 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.48 145.66 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.01 111.137 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 168.35 17.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.484 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -132.71 155.6 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 74.21 110.854 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -52.83 160.67 1.38 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 73.41 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 72.25 112.323 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.49 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -49.05 51.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.893 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.84 -42.7 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.918 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.35 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 54.12 110.828 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.48 -27.4 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.123 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -82.55 -54.59 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.981 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.961 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.883 0.373 . . . . 54.24 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.639 HG23 ' HB ' ' A' ' 33' ' ' THR . 6.7 m -118.33 130.14 55.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 55.12 111.162 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 tt -115.4 137.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 62.44 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -119.14 135.43 54.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 60.44 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.62 -163.37 25.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 61.14 112.568 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.805 HG22 ' CD1' ' A' ' 37' ' ' TYR . 30.4 pt -111.81 172.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.918 0.39 . . . . 72.24 111.14 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -98.76 165.17 11.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.898 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 56.73 42.24 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.938 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 t -123.12 128.22 49.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 62.11 110.89 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.22 -51.25 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 54.43 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -51.84 -55.67 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.136 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mmm -51.94 -48.39 64.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.92 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -52.56 -51.42 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 54.5 110.927 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -57.91 -44.88 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.931 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.65 68.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 53.12 111.093 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -56.91 -49.07 76.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.867 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.69 -34.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.141 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -55.89 12.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.6 mm? -58.26 -41.28 83.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 70.24 110.927 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.95 -45.79 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 72.41 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -62.86 -17.02 60.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.823 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.91 18.04 21.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 61.3 112.434 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.45 147.8 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 74.32 111.133 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.07 120.51 42.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.89 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.6 m-85 -114.32 143.99 43.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.928 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.639 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -82.91 112.73 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.117 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -77.37 117.81 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.835 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -119.52 123.91 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.855 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.2 129.51 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.805 ' CD1' HG22 ' A' ' 12' ' ' ILE . 15.4 p90 -51.19 -36.91 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.45 110.895 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -79.41 -48.81 13.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.844 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -47.37 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.924 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -39.57 86.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.881 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.47 96.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.13 112.475 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.7 131.26 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 61.22 110.897 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' HD13 ' A' ' 42' ' ' LEU . 7.8 m-20 -114.31 153.44 29.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 53.01 110.874 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.68 -49.17 62.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.057 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.46 -50.95 64.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.919 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.591 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -56.73 -48.1 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.34 111.112 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -54.63 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.947 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -53.06 -52.64 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 70.5 110.796 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -56.92 -34.76 68.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.836 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CE1' HD22 ' A' ' 105' ' ' LEU . 8.5 m-85 -73.37 -33.34 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.876 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.48 -38.98 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.879 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -67.07 -28.53 68.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -91.72 -28.04 17.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.105 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.7 t -138.31 133.34 17.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 51.22 111.1 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.85 141.45 44.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 74.41 112.386 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -52.2 -41.65 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.09 -29.4 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -116.22 25.14 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.95 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.02 -24.64 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -119.53 149.39 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.972 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -50.97 143.77 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.886 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -115.99 -31.52 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.92 -23.27 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 151.73 26.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 64.14 112.483 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.6 p -52.74 -33.62 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 74.54 111.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.13 62.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.01 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -78.1 -34.85 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -78.33 -4.33 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.52 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 70' ' ' LEU . 23.7 mmtt -60.23 -23.16 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.67 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.3 mp -120.66 155.69 56.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 75.04 110.943 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.1 Cg_endo -69.81 156.24 63.73 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 72.42 112.341 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.49 -34.58 36.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -64.98 -51.69 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.819 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.67 ' CG1' HD23 ' A' ' 70' ' ' LEU . 53.7 t -67.53 -33.95 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -70.33 -27.54 64.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -15.96 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.833 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -78.95 -3.19 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 63.33 110.884 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.03 131.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 61.22 111.193 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.18 -178.91 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.88 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 60.14 111.136 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.26 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 55.31 111.072 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -51.95 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.816 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.14 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.078 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.09 -39.31 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.811 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.3 -43.92 80.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.45 -49.67 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -32.34 73.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.5 tt -65.87 -47.13 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.32 -48.28 20.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.068 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -124.64 79.91 62.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 74.41 110.931 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.75 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.747 2.298 . . . . 71.34 112.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -18.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.53 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -19.43 45.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.869 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 95' ' ' LYS . 84.1 t -54.68 145.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 75.05 111.149 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.657 ' HD2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.01 171.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.877 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -174.71 159.53 2.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 73.24 110.893 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.83 143.31 73.64 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.729 -1.78 . . . . 63.23 112.324 0.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 105' ' ' LEU . 85.1 t -93.72 125.78 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.141 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.83 122.77 48.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.54 130.14 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.9 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -152.07 122.69 7.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.66 27.43 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.864 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.91 -39.47 2.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.456 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -67.66 135.13 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 41.15 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.702 HD22 ' CE1' ' A' ' 50' ' ' PHE . 7.9 tp -100.02 154.16 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.969 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mmm -136.95 145.09 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.837 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.55 HG13 ' CG ' ' A' ' 95' ' ' LYS . 39.4 t -91.82 125.55 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.21 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.41 139.2 45.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 74.34 112.46 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.9 156.04 17.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 74.21 110.854 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -51.75 160.84 0.99 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 73.41 110.862 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -48.48 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.28 . . . . 72.25 112.323 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.64 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.096 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.17 -48.9 39.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 63.54 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.09 -42.9 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.912 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.6 -50.43 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 54.12 110.853 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.35 -25.07 65.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.056 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -81.86 -56.55 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.957 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.1 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 73.25 110.908 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 54.24 111.109 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -105.07 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 55.12 111.157 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -114.84 137.67 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 62.44 111.096 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -108.36 153.19 23.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 60.44 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.78 -169.57 36.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.14 112.459 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.414 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -123.14 176.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 72.24 111.142 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.64 -25.91 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.34 70.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 43.33 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -156.95 141.94 17.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.901 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -89.62 -36.19 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.81 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -51.87 -44.27 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 64.53 111.09 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.1 mmm -52.26 -38.14 57.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.88 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.5 -51.48 69.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 54.5 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.25 -48.96 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.863 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 53.12 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -61.28 -48.17 82.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 70.51 110.88 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.13 -36.63 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 74.45 111.138 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -68.25 -55.85 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.75 -38.66 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -70.52 -49.11 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.99 -44.9 74.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.814 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -62.72 -17.03 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 27.77 12.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 61.3 112.457 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.0 mt -107.4 150.23 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 74.32 111.133 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -118.97 112.13 19.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.778 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.2 151.73 30.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 70.01 110.883 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -82.6 111.48 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 70.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -77.31 121.08 23.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.865 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.23 123.86 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.04 136.95 33.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 70.42 110.83 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -51.72 -32.26 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.915 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -88.79 -46.65 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.948 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.26 -46.14 72.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.88 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -32.03 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.922 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.51 97.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.429 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -73.67 132.55 42.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.333 . . . . 61.22 110.923 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.528 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.4 t70 -122.66 179.43 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 53.01 110.868 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.95 65.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.41 111.129 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -52.86 -51.31 61.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.31 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 84' ' ' ARG . 2.9 tm? -53.22 -49.86 65.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.91 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.5 -39.25 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 70.5 110.859 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -61.83 -43.52 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.692 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.3 m-85 -73.15 -34.13 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.921 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -71.21 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 70.24 110.869 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.855 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.607 HG21 ' HA ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -91.62 -32.95 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.113 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 59' ' ' LEU . 58.4 t -137.03 133.39 18.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.616 0.722 . . . . 51.22 111.153 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.8 144.48 53.93 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.661 2.241 . . . . 74.41 112.342 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HB3' HD21 ' A' ' 51' ' ' LEU . 62.9 p-90 -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.938 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.8 -27.16 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -123.15 22.95 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' HG12 ' A' ' 54' ' ' VAL . 21.1 tp -127.73 0.33 6.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 61.44 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.5 pp -150.51 135.24 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.904 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -56.66 143.98 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 -23.39 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 73.11 110.891 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.79 30.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 40.23 111.134 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.72 169.78 15.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 64.14 112.401 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -51.58 -31.2 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.54 111.163 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 93' ' ' MET . 30.0 p -52.79 -38.15 60.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 75.01 111.092 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -78.22 -34.79 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 75.02 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -79.56 -3.81 48.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.895 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -59.97 -30.06 68.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.875 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.1 mp -116.07 158.07 43.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 75.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -179.72 3.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 72.42 112.351 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -71.32 -48.31 51.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 64.42 110.891 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.58 -35.05 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 73.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.706 ' CG1' HD23 ' A' ' 70' ' ' LEU . 58.3 t -85.66 -46.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.143 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -45.15 79.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.872 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.865 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.42 26.08 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.33 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.8 129.95 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 61.22 111.085 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -178.61 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.12 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 60.14 111.125 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.2 8.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 55.31 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -54.73 -51.67 64.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.807 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.96 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 62.1 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' HD11 ' A' ' 47' ' ' LEU . 19.0 mtm180 -52.28 -43.26 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.98 -34.21 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.62 -38.65 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.847 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.563 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.34 -43.65 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.905 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.14 -42.98 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.915 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -47.97 35.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 72.31 111.108 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.24 78.2 52.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 74.41 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.511 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.81 -7.9 22.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 71.34 112.333 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -59.4 -20.76 57.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.53 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.692 ' HB2' HG21 ' A' ' 66' ' ' THR . 15.2 ptp -86.23 -17.68 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.33 110.86 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 87' ' ' MET . 95.6 t -50.88 143.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 75.05 111.132 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -51.38 161.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.866 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.516 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -171.82 159.9 4.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 73.24 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.63 156.6 92.36 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 -1.793 . . . . 63.23 112.401 -0.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 105' ' ' LEU . 94.0 t -116.12 136.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.11 111.136 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 mp -114.45 127.36 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -111.68 135.58 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -163.85 123.71 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.942 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 53.23 28.8 7.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.838 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.93 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 31.54 112.455 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.607 ' HA ' HG21 ' A' ' 53' ' ' THR . 24.8 mttm -61.65 125.01 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 41.15 110.955 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.4 tp -97.16 152.56 18.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 75.31 110.883 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ttp -134.14 141.06 46.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.925 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.89 136.74 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.01 111.158 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 166.88 20.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.473 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -138.83 155.82 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.21 110.874 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -52.31 160.67 1.21 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 73.41 110.895 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 72.25 112.312 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.82 80.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.045 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -71.28 -48.51 50.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.54 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.66 -42.65 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.911 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.34 -50.46 38.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.09 -29.19 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.083 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -82.62 -38.07 24.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.992 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 73.25 110.894 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.421 0.456 . . . . 53.12 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -178.55 2.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 61.23 112.29 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.92 99.38 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 62.35 112.479 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -70.05 -46.41 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 72.23 110.873 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.0 mtm -69.07 171.69 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 62.03 110.84 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.881 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.619 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 66.8 t -96.95 135.51 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 54.24 111.093 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.621 HG23 ' HB ' ' A' ' 33' ' ' THR . 16.0 m -111.31 130.11 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 55.12 111.102 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 ' CB ' ' A' ' 97' ' ' PRO . 11.0 tt -114.69 137.39 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 62.44 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.97 155.98 25.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 60.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.54 -138.97 5.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.509 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.798 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -133.33 176.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.365 . . . . 72.24 111.145 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -103.21 -25.84 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.873 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -91.08 61.91 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 43.33 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.664 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.4 t -156.95 141.23 16.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.19 -43.83 40.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 54.43 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -51.86 -48.07 64.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 64.53 111.134 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 57.4 mmm -51.91 -47.28 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 72.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -60.52 -42.42 96.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 54.5 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -64.36 -33.19 75.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.862 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.96 -51.93 22.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 53.12 111.144 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.93 -40.23 88.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 70.51 110.86 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.17 -52.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -54.29 -53.42 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.2 mm? -60.65 -43.24 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 70.24 110.908 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.33 -41.12 96.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.897 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -67.43 -40.39 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.853 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -62.75 -16.99 60.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 71.45 110.853 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.94 19.28 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.44 140.24 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 74.32 111.115 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.59 116.38 28.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.867 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.72 127.95 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 70.01 110.954 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.621 ' HB ' HG23 ' A' ' 8' ' ' THR . 34.7 m -84.54 114.53 22.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -76.96 115.55 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -124.24 123.76 40.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.813 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.54 146.59 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 70.42 110.847 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.798 ' CD1' HG22 ' A' ' 12' ' ' ILE . 37.4 p90 -51.68 -38.63 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.45 110.931 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -30.31 26.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 74.3 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.66 -47.42 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.4 110.907 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.43 -24.88 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.24 96.25 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 54.13 112.48 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.877 HD11 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -81.53 123.03 28.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 61.22 110.951 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' C ' HD21 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -141.16 177.47 8.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 53.01 110.883 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.4 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 54.41 111.075 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -60.85 -51.42 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 65.44 110.887 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.677 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -59.42 -47.73 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.137 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.877 HD23 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.7 -50.58 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.912 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -57.72 -48.31 79.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 70.5 110.886 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -42.12 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.896 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.677 ' CE2' HG22 ' A' ' 46' ' ' THR . 20.6 m-85 -68.1 -51.63 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -59.6 -26.64 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.936 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -82.48 -24.05 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.903 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.9 m -83.95 -33.33 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 72.44 111.169 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.744 HG23 ' CD1' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -141.24 158.04 65.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 51.22 111.132 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.14 41.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 74.41 112.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HB3' HD21 ' A' ' 51' ' ' LEU . 46.0 p-90 -57.45 -24.14 53.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.921 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.48 -30.52 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -111.96 27.39 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -109.82 -22.92 11.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 61.44 110.935 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 ' CE ' ' A' ' 93' ' ' MET . 1.7 pp -132.55 133.32 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.567 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.79 143.91 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.852 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -116.08 -18.21 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.19 29.84 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 40.23 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.89 -161.48 11.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 64.14 112.503 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -81.64 -31.58 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 74.54 111.144 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.778 HG21 ' HB2' ' A' ' 93' ' ' MET . 62.3 p -52.87 -51.73 60.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -69.19 -36.34 77.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.02 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.4 -14.85 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 73.52 110.852 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -60.84 -52.63 64.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.578 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -70.25 159.1 85.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 75.04 110.942 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.2 Cg_endo -69.7 -176.43 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 72.42 112.394 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.11 -36.65 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.909 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -65.52 -51.44 59.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 70' ' ' LEU . 86.3 t -66.26 -44.89 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.132 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -51.97 -30.15 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 70.2 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.9 t -99.14 -20.97 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.841 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -101.4 42.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.86 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.31 138.4 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.53 164.32 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.834 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.14 111.122 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.37 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 55.31 111.086 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.8 m -53.74 -51.79 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.86 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.04 -56.25 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 62.1 111.054 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -51.59 -43.74 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.41 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.98 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.893 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 82' ' ' SER . 3.5 mm? -70.15 -36.79 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.11 110.929 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.714 ' CB ' HD21 ' A' ' 47' ' ' LEU . 35.3 mmt -72.36 -43.4 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -69.82 -35.6 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.91 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.0 -48.18 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.075 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.75 77.19 51.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 74.41 110.89 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.501 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.77 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 71.34 112.369 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -63.82 -16.23 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 60.53 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB2' HG21 ' A' ' 66' ' ' THR . 8.3 ptm -90.95 -14.82 30.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.87 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.581 HG22 ' SD ' ' A' ' 87' ' ' MET . 88.7 t -51.03 144.6 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.05 111.125 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.651 ' HD2' HG22 ' A' ' 107' ' ' VAL . 18.0 pttt -50.63 153.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.41 110.869 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -171.16 155.92 4.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 73.24 110.848 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.79 169.05 65.37 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 -1.817 . . . . 63.23 112.344 0.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD21 ' A' ' 105' ' ' LEU . 93.0 t -127.61 133.71 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 75.11 111.166 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.3 126.92 53.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 64.2 110.934 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -113.93 121.39 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.882 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.45 112.13 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 74.21 110.87 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 59.92 31.51 20.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.53 -45.03 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 31.54 112.487 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -56.53 124.15 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 41.15 110.867 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.532 HD21 HG13 ' A' ' 98' ' ' VAL . 6.9 tt -99.15 143.25 29.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.938 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.3 ttp -130.32 149.67 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.932 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.651 HG22 ' HD2' ' A' ' 95' ' ' LYS . 22.0 t -91.87 142.54 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.108 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 147.27 49.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.492 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.5 155.97 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 74.21 110.868 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -63.32 160.69 39.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.551 0.691 . . . . 73.41 110.958 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 72.25 112.354 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.1 81.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 74.33 111.052 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.36 -49.51 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 63.54 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -54.87 -42.46 72.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.901 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.55 -50.51 36.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 54.12 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.69 64.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.106 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -82.67 -59.79 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.921 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -59.7 -26.23 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.0 148.9 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 73.12 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.948 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.508 0.504 . . . . 53.12 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 176.95 6.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.709 2.272 . . . . 61.23 112.311 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.05 110.56 1.04 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 62.35 112.479 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -57.21 -27.6 62.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 72.23 110.829 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.8 ttp -74.81 89.29 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 62.03 110.883 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -106.2 94.24 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.878 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.439 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 17.6 m -87.12 174.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 54.24 111.141 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -122.06 131.73 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.118 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 97' ' ' PRO . 11.2 tt -114.72 137.38 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 62.44 111.165 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -109.19 139.31 44.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.97 -168.49 24.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.523 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.6 pt -130.57 176.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.24 111.117 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -108.35 175.59 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.873 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.63 26.36 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 43.33 110.821 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -121.4 -176.87 3.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.823 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -120.89 -33.53 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.828 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -51.48 -51.3 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.109 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.0 mtp -52.22 -32.52 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.839 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -60.3 -51.79 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.5 110.881 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -65.46 -43.35 90.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.916 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -61.11 -47.59 85.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 53.12 111.102 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -62.31 -49.4 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 70.51 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG22 ' OD2' ' A' ' 27' ' ' ASP . 39.1 mt -59.67 -36.16 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.11 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -68.74 -51.2 43.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 74.25 110.92 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -57.39 -47.3 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 70.24 110.924 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.35 -34.51 76.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' OD2' HG22 ' A' ' 23' ' ' ILE . 5.2 m-20 -61.92 -46.21 90.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.865 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -72.79 -16.99 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 42.46 8.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.768 . . . . 61.3 112.534 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.42 140.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 74.32 111.084 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -80.48 115.05 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.825 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 25' ' ' LEU . 3.6 m-85 -136.31 128.27 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.942 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.0 m -88.09 117.04 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 70.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -77.14 122.24 24.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.885 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.49 120.39 28.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.808 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.31 142.67 30.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.894 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.687 ' CD1' HG22 ' A' ' 12' ' ' ILE . 13.5 p90 -56.44 -29.78 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.891 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -92.7 -54.91 3.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 74.3 110.95 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -53.98 -27.63 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.904 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.14 -32.93 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.31 160.72 16.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 54.13 112.529 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -140.81 123.43 16.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 61.22 110.896 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 42' ' ' LEU . 6.8 m-20 -108.87 162.64 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 53.01 110.835 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.06 69.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -52.16 -50.0 62.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 65.44 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.599 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -61.72 -50.61 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 73.34 111.181 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -55.15 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -53.25 -51.26 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.915 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -56.31 -37.58 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.845 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.2 m-85 -72.4 -39.29 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.4 -33.37 75.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 70.24 110.932 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -71.18 -25.72 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.904 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 m -92.12 -33.17 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.65 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.8 t -141.32 133.35 13.84 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.539 0.685 . . . . 51.22 111.193 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.86 144.59 53.98 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 74.41 112.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -56.36 -25.1 48.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.873 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.09 -32.84 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -122.59 23.85 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.915 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD13 ' HB ' ' A' ' 54' ' ' VAL . 8.3 tp -116.1 -17.21 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.92 149.46 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 71.44 110.927 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.493 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.34 143.59 14.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.913 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -111.53 -47.98 3.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.912 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 27.51 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 40.23 111.096 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.46 160.0 22.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 64.14 112.47 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -51.82 -34.29 39.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 74.54 111.1 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.183 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -76.0 -34.78 59.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.904 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -20.85 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.83 -25.41 66.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.848 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.731 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -88.81 157.92 48.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.601 0.715 . . . . 75.04 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 178.82 4.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 72.42 112.369 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -71.3 -36.08 71.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.855 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.26 -51.72 49.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD23 ' A' ' 70' ' ' LEU . 79.4 t -65.76 -33.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 71.3 111.125 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -67.91 -25.7 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.874 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 t -98.29 -23.47 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 72.3 110.945 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -93.26 42.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 63.33 110.951 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.3 t -89.76 134.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.22 111.073 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -129.61 170.18 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.876 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.35 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 60.14 111.053 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -58.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 55.31 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.8 m -53.99 -51.66 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.861 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.06 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.1 111.162 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -56.94 -44.05 82.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.79 -46.83 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 82' ' ' SER . 3.9 mm? -55.27 -49.34 72.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -32.7 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.891 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.3 tt -58.94 -55.6 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.02 -25.17 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.31 111.095 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.57 74.37 75.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.624 0.726 . . . . 74.41 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.471 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.74 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.622 2.215 . . . . 71.34 112.429 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 p -58.13 -23.68 55.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 60.53 110.834 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -19.22 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 91' ' ' PRO . 59.9 t -57.11 142.75 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.201 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 162.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 64.41 110.887 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -174.54 159.63 2.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 73.24 110.825 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.73 153.34 92.85 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.757 -1.768 . . . . 63.23 112.264 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.1 t -115.29 141.79 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.09 122.93 49.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.8 117.85 34.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.22 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 109.8 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.875 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 54.62 28.74 10.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 73.03 110.851 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 -43.07 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 31.54 112.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -54.92 134.46 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 41.15 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.97 137.19 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.95 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.5 mtp -131.57 142.82 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.851 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -93.37 142.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.082 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 164.73 24.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 74.34 112.47 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -136.91 154.41 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 74.21 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -52.5 160.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.551 0.691 . . . . 73.41 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.49 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.692 2.262 . . . . 72.25 112.385 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.37 81.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.074 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.17 -49.0 48.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 63.54 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.26 -42.07 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.52 110.935 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.6 -50.41 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 54.12 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.7 -31.33 68.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.118 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.15 -36.28 27.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.017 0.436 . . . . 72.22 110.995 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -100.11 27.4 5.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.816 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -70.42 161.29 30.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.904 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.918 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.44 0.467 . . . . 53.12 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 61.23 112.321 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.02 -52.28 1.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.673 -0.775 . . . . 62.35 112.505 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -61.93 -51.2 69.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 72.23 110.862 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -98.13 168.89 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 62.03 110.902 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 p -138.85 154.96 48.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.841 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.693 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.2 p -124.18 123.18 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 54.24 111.101 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -119.44 138.91 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 55.12 111.139 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.626 HG21 ' NH2' ' A' ' 22' ' ' ARG . 11.6 tt -114.85 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 62.44 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -106.33 133.64 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.918 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.32 21.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 61.14 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.745 HG22 ' CD1' ' A' ' 37' ' ' TYR . 6.7 pt -136.34 173.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 72.24 111.146 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.64 35.95 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.942 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.619 ' HB2' HD12 ' A' ' 12' ' ' ILE . 67.2 m-20 -142.75 45.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 43.33 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -155.8 166.41 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.35 -34.19 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.5 m -51.74 -36.93 49.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.165 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.06 65.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.834 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -57.21 -51.22 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.5 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -59.8 -43.01 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.32 110.859 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 53.12 111.162 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.626 ' NH2' HG21 ' A' ' 9' ' ' ILE . 6.0 mmp_? -60.07 -48.23 82.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.813 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.6 mt -58.31 -36.35 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.162 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -55.95 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.907 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.4 -38.96 85.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -58.93 -44.24 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.839 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.34 -16.96 64.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 71.45 110.863 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.57 37.84 19.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 61.3 112.497 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -107.19 146.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 74.32 111.199 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.59 106.38 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.869 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 7' ' ' VAL . 2.4 m-85 -119.64 134.63 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 70.01 110.92 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.7 110.47 17.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 70.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -77.09 120.84 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.943 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.58 123.17 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.853 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.56 151.47 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.809 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.745 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.2 p90 -54.77 -29.41 53.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.834 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -90.93 -51.38 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.858 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -47.52 71.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.888 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.62 -26.04 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.971 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.33 96.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 54.13 112.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -78.63 127.04 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 61.22 110.922 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -117.39 168.75 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.839 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -58.01 -42.25 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.17 -50.98 67.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.848 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.641 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.75 -51.44 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.133 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.03 -49.74 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.96 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.18 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.899 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.78 -39.74 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.641 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.1 m-85 -71.97 -32.1 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.837 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -70.39 -37.22 74.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 70.24 110.909 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -72.86 -44.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 72.22 110.926 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -74.64 -26.75 60.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 72.44 111.142 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -147.36 133.33 9.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 51.22 111.082 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.8 Cg_endo -69.83 138.01 36.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.606 2.204 . . . . 74.41 112.377 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.439 ' HB3' HD21 ' A' ' 51' ' ' LEU . 47.3 p-90 -54.05 -28.32 38.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -35.48 46.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.9 29.07 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.866 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.11 -12.56 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 61.44 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -133.91 149.77 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.883 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.573 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -53.27 143.99 17.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.854 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 -53.33 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.03 -21.33 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 40.23 111.059 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.69 149.04 8.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.2 p -53.15 -32.98 50.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 74.54 111.106 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -37.44 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.01 111.2 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -77.93 -34.85 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -76.4 -5.55 47.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.898 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -84.35 157.22 62.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 75.04 110.916 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 178.75 4.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.686 2.258 . . . . 72.42 112.431 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -71.4 -35.14 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 64.42 110.889 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -67.96 -51.83 43.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.706 HG12 HD23 ' A' ' 70' ' ' LEU . 76.1 t -64.85 -30.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 71.3 111.097 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' NH2' HD22 ' A' ' 70' ' ' LEU . 3.3 mmp_? -81.97 -24.78 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 70.2 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -84.2 -24.4 30.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.51 20.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.37 129.67 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.159 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -128.59 -176.62 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.945 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.46 -56.51 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.072 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.89 -58.34 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 55.31 111.109 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -54.27 -48.93 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.829 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.2 -46.61 62.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 62.1 111.121 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -66.21 -38.6 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.794 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.74 -48.56 74.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.04 -51.98 65.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 74.11 110.909 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.781 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.7 -32.56 72.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.872 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 44' ' ' ALA . 8.3 tt -65.82 -54.27 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.95 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.93 -48.32 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.31 111.112 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -122.52 78.7 46.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 74.41 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.63 2.22 . . . . 71.34 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.0 p -58.67 -21.03 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.53 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtp -80.47 -19.23 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 71.33 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.0 t -57.54 143.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.05 111.15 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 157.41 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 64.41 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -170.88 159.75 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.69 . . . . 73.24 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.4 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 63.23 112.296 0.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.2 139.78 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 75.11 111.128 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.99 123.24 49.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 64.2 110.904 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.29 115.41 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.22 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -150.46 128.92 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t0 59.23 37.42 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.834 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.94 22.48 72.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 31.54 112.457 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -119.11 130.49 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 41.15 110.888 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.43 134.34 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.919 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.6 mtm -126.76 146.87 50.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.841 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -91.79 136.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 75.01 111.193 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.13 151.59 47.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 74.34 112.48 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -129.53 155.98 44.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 74.21 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -51.48 160.71 0.93 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 73.41 110.859 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 72.25 112.263 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.07 81.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 74.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -69.78 -49.32 54.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.45 -41.11 69.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -50.51 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.933 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.14 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.102 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -80.9 -41.55 22.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.41 -36.65 69.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.91 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.31 147.96 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 43.6 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 62.42 110.94 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 121.442 0.468 . . . . 53.12 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.54 18.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 61.23 112.347 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.57 26.92 11.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.852 -0.69 . . . . 62.35 112.526 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 p -62.69 -33.81 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 72.23 110.837 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.0 mtp -101.25 -30.26 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -77.05 66.02 2.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.899 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 99' ' ' LEU . 22.0 t -126.12 114.38 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 54.24 111.145 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -131.68 135.42 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 55.12 111.202 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 33' ' ' THR . 13.4 tt -114.74 143.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 62.44 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -118.27 136.01 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 60.44 110.902 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.67 -157.26 12.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 61.14 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 pt -136.45 155.38 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.24 111.134 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -95.14 50.24 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.876 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -155.79 30.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 43.33 110.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 p -136.49 -178.54 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 62.11 110.849 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.84 -30.73 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.834 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.5 -42.96 75.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.53 111.088 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 72.34 110.867 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -51.7 66.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 54.5 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.95 -38.8 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.892 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.39 92.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.12 111.156 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -69.63 -47.63 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 70.51 110.831 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.51 -37.67 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.45 111.119 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -69.32 -50.99 41.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 30' ' ' ILE . 3.5 mm? -59.68 -38.93 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 70.24 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -72.7 -48.77 36.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.913 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.53 -39.37 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -70.75 -16.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.843 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 40.11 10.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.701 -0.761 . . . . 61.3 112.432 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 25' ' ' LEU . 79.5 mt -102.2 143.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.857 0.361 . . . . 74.32 111.159 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -85.26 129.57 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.837 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -172.02 134.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.937 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 9' ' ' ILE . 12.6 m -90.54 134.81 34.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 70.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.63 115.0 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.941 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -115.69 123.87 49.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.95 139.74 42.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 70.42 110.856 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 42' ' ' LEU . 19.1 m-85 -71.28 -38.03 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.931 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -54.58 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.891 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -54.18 -47.5 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.927 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.48 -70.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.826 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.63 111.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 54.13 112.487 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -81.43 112.34 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 61.22 110.841 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.67 157.38 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 53.01 110.906 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.14 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 54.41 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.668 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.37 -45.98 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.112 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -55.03 -50.35 69.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.95 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -62.56 -43.24 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 70.5 110.855 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -58.21 -39.55 79.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.859 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 46' ' ' THR . 21.8 m-85 -73.18 -39.34 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 71.14 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -62.81 -37.9 88.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.24 110.918 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.52 -25.76 66.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 72.22 110.942 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -93.34 -25.02 17.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 72.44 111.115 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -144.17 133.28 11.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 51.22 111.118 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.84 145.17 55.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 74.41 112.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 60' ' ' LEU . 62.4 p-90 -52.31 -43.13 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.93 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.92 -32.04 31.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -116.01 25.91 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.89 13.18 5.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 61.44 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.35 147.39 27.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.923 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.72 140.99 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -107.09 -55.2 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.817 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.56 25.06 10.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 40.23 111.085 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.9 -169.89 43.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 64.14 112.463 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -81.31 -43.35 19.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 74.54 111.183 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 p -55.47 -43.85 75.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.68 -34.83 67.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.894 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -22.99 61.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -60.82 -43.68 97.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG11 ' A' ' 74' ' ' VAL . 20.1 mt -70.24 156.69 91.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 75.04 110.93 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 72.42 112.326 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -71.23 -36.36 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -64.98 -50.83 64.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.005 HG11 HD22 ' A' ' 70' ' ' LEU . 95.5 t -67.69 -42.43 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 71.3 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.95 -22.69 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 70.2 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -13.34 15.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.901 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -93.1 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.903 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.9 t -93.75 134.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 61.22 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.96 175.88 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.08 -60.98 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 60.14 111.084 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.62 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 55.31 111.153 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.808 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.23 -49.64 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 62.1 111.106 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -63.86 -37.31 86.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.871 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.89 -41.27 87.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.921 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.17 -49.02 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.3 mmt -65.87 -32.61 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.4 110.871 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -55.38 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.24 -48.35 65.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.101 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -126.24 80.34 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.44 21.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 71.34 112.372 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -58.18 -21.97 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 60.53 110.801 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 mtp -80.47 -19.62 45.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 71.33 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.4 t -51.93 141.98 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -51.83 159.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.879 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.515 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -174.37 159.56 2.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 73.24 110.895 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.75 153.06 92.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 -1.803 . . . . 63.23 112.331 0.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.414 HG13 ' HG ' ' A' ' 105' ' ' LEU . 88.5 t -114.0 121.28 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -114.09 123.82 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 64.2 110.943 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -105.01 120.18 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.888 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -125.14 116.29 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.83 26.06 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.49 8.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 134.24 46.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 41.15 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.414 ' HG ' HG13 ' A' ' 98' ' ' VAL . 6.8 tp -97.9 134.38 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.911 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mmm -125.48 145.22 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.843 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.85 143.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 75.01 111.192 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.35 157.24 37.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -132.31 156.08 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 74.21 110.858 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -51.82 160.78 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 73.41 110.846 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.25 112.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.11 80.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.094 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -71.18 -49.52 42.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 63.54 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -54.97 -42.17 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.943 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.6 -50.4 37.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 54.12 110.939 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.82 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.13 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -82.69 -38.64 23.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -96.88 30.31 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.833 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -71.35 173.43 7.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.881 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 62.42 110.867 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 121.463 0.479 . . . . 53.12 112.54 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.14 9.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 61.23 112.29 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.96 104.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 62.35 112.503 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -63.6 -53.59 49.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 72.23 110.944 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.7 mtt -74.93 166.63 23.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 62.03 110.863 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -81.13 136.37 35.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.899 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.1 t -100.71 145.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 54.24 111.081 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.9 m -109.89 130.44 55.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 55.12 111.152 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.91 137.62 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 62.44 111.121 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -99.95 154.45 18.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.926 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.51 -166.81 33.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 61.14 112.457 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 37' ' ' TYR . 23.3 pt -142.48 176.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.967 0.413 . . . . 72.24 111.052 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.925 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -105.64 69.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 43.33 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -156.91 143.18 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.11 110.872 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.39 -36.35 11.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.438 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -52.75 -37.42 59.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.159 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.32 -30.71 71.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 72.34 110.85 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -51.54 57.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 54.5 110.869 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -66.95 -37.32 84.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.854 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.44 94.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 53.12 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -68.27 -48.97 63.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.848 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -58.68 -40.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -67.29 -55.0 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.89 -43.33 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.7 -47.33 69.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.67 -44.16 73.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.904 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.92 -16.89 60.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.853 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.45 23.02 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.794 -0.717 . . . . 61.3 112.509 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.7 mt -107.5 147.76 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 74.32 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.42 116.99 27.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.881 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.7 157.95 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.01 110.891 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -89.09 105.57 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 70.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.13 120.35 22.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.853 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -125.53 116.28 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.35 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -79.6 147.65 32.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' ' 12' ' ' ILE . 25.0 p90 -52.03 -33.13 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.994 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -89.68 -46.72 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.878 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -53.93 -47.7 70.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 74.4 110.949 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.84 -23.45 52.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.56 97.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.677 -0.773 . . . . 54.13 112.489 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.91 115.16 20.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 61.22 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -119.87 178.8 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.01 110.863 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.442 ' CA ' HD11 ' A' ' 88' ' ' LEU . . . -57.67 -40.67 79.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.046 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.0 -51.4 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 65.44 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -52.86 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.34 111.09 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -52.46 -49.0 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 72.53 110.877 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.78 -53.77 54.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.817 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -56.66 -39.54 73.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -72.69 -27.13 61.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.906 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.77 -51.59 21.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 70.24 110.932 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -60.16 -26.94 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.94 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.8 m -89.51 -29.59 18.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 105' ' ' LEU . 57.8 t -145.97 133.4 10.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.686 0.755 . . . . 51.22 111.029 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.6 Cg_endo -69.78 141.42 45.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 74.41 112.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -52.18 -43.76 64.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 72.32 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.74 -30.18 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -116.87 28.73 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.953 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.1 tp -127.54 6.79 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 61.44 110.843 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -147.98 149.6 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 71.44 110.912 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.62 138.62 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.981 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -107.23 -40.23 5.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.77 29.6 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 40.23 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.68 151.75 17.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 64.14 112.52 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.0 p -53.3 -31.84 45.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 74.54 111.194 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -49.22 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.093 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.33 -34.78 78.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -74.77 -7.14 52.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.7 -43.66 97.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 3.9 mp -87.28 152.84 53.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 75.04 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.4 Cg_endo -69.66 -179.17 2.69 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.673 2.249 . . . . 72.42 112.407 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -71.4 -37.38 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.2 -51.72 65.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 70' ' ' LEU . 91.6 t -64.86 -40.04 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.103 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.53 HH21 HD22 ' A' ' 70' ' ' LEU . 5.3 mmp_? -71.79 -22.9 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 70.2 110.797 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -85.17 -22.43 28.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.828 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -95.3 23.84 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.33 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -81.46 135.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -133.47 -178.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.865 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.01 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 60.14 111.063 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -58.14 7.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.9 -49.67 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.26 62.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 62.1 111.106 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -64.4 -49.95 69.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.799 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.6 -49.8 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.906 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.38 -53.71 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.813 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.68 -32.77 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.923 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -65.67 -56.43 12.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.904 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.8 -48.33 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 72.31 111.096 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.97 78.84 16.79 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.715 . . . . 74.41 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.82 -7.36 20.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 71.34 112.358 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.0 t -58.5 -20.71 48.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 60.53 110.822 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.5 mtp -80.58 -19.23 46.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 71.33 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 91' ' ' PRO . 58.7 t -57.45 145.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.108 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 168.71 10.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.837 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.511 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.6 ptp85 -174.83 159.44 2.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.594 0.711 . . . . 73.24 110.823 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.9 Cg_endo -69.69 152.13 91.86 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 -1.779 . . . . 63.23 112.368 -0.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 105' ' ' LEU . 90.3 t -113.16 130.44 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.11 111.183 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.24 129.5 55.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 64.2 110.937 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -116.71 115.24 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -146.44 125.27 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.28 28.12 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 73.03 110.914 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.28 -44.37 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 31.54 112.539 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.2 132.09 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 41.15 110.861 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 54' ' ' VAL . 4.5 tp -99.93 150.61 22.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.888 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -135.15 139.91 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 74.33 110.828 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.7 t -91.89 141.3 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.123 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.6 168.17 18.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 74.34 112.433 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -141.76 155.95 45.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 74.21 110.871 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -53.14 160.66 1.53 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 73.41 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -48.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 72.25 112.325 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.85 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.95 -49.37 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 63.54 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.44 -42.68 74.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 74.52 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.57 -50.46 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.23 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.126 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -82.6 -40.69 20.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.38 -34.89 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.901 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.65 125.01 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.922 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 62.42 110.914 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.483 0.49 . . . . 53.12 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.02 58.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.284 . . . . 61.23 112.336 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.85 108.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 62.35 112.567 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.6 p -86.83 -31.87 20.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 72.23 110.824 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 mtp -75.08 -35.29 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 62.03 110.859 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -114.02 177.44 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.893 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.6 t -125.06 140.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 54.24 111.106 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 135.3 51.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 55.12 111.184 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 33' ' ' THR . 13.0 tt -114.82 143.33 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.096 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -111.96 124.35 52.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 60.44 110.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.79 -168.34 17.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 61.14 112.562 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.99 176.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 72.24 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -90.56 -25.99 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.866 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -91.84 64.79 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 43.33 110.903 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.06 161.07 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 62.11 110.819 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.49 -41.12 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -51.72 -32.93 32.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 64.53 111.185 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -34.22 64.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.957 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 23' ' ' ILE . 4.1 tppt? -64.56 -51.62 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.5 110.911 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -52.13 66.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.869 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.93 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 53.12 111.084 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -58.63 -49.14 78.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 70.51 110.817 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 19' ' ' LYS . 22.9 mt -59.73 -35.18 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.149 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.72 -50.64 49.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.934 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD13 HD12 ' A' ' 30' ' ' ILE . 4.1 mm? -57.38 -47.67 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.88 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -67.89 -35.58 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.905 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.86 -41.43 99.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 72.41 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -80.68 -17.02 52.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.844 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.12 51.7 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 61.3 112.548 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 HD13 ' A' ' 25' ' ' LEU . 83.8 mt -105.53 143.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 74.32 111.1 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -86.17 119.43 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 75.12 110.918 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -160.73 135.12 7.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.254 -0.43 . . . . 70.01 111.022 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 9' ' ' ILE . 34.6 m -92.24 135.5 33.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.89 110.33 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.4 110.929 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.58 122.76 48.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.95 136.5 33.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.83 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.517 ' HD1' HD23 ' A' ' 42' ' ' LEU . 6.9 m-85 -60.47 -43.33 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.848 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -71.77 -54.81 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.891 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -54.16 -47.52 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.953 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -67.48 -27.69 67.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 71.13 110.823 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.83 98.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 54.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.94 121.76 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 61.22 110.837 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.2 t70 -121.72 176.49 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 53.01 110.831 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.41 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 54.41 111.152 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.2 -50.84 71.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.934 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.436 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -63.69 -47.28 81.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 73.34 111.101 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -49.06 78.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.926 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.53 -47.55 85.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 70.5 110.884 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.2 -45.27 83.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' A' ' 46' ' ' THR . 12.9 m-85 -67.49 -33.75 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.14 110.926 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.61 -37.44 73.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.883 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -68.26 -36.5 79.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.903 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.6 m -82.04 -32.75 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 72.44 111.185 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.68 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.9 t -135.77 133.28 19.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.697 0.76 . . . . 51.22 111.178 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.5 Cg_endo -69.71 138.45 38.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.716 2.278 . . . . 74.41 112.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.611 ' HB3' HD21 ' A' ' 51' ' ' LEU . 56.6 p-90 -54.37 -27.47 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.861 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -53.43 -33.65 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.909 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.16 27.58 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.4 tp -114.79 -26.04 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -115.44 148.24 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.878 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.98 143.54 13.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.92 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -58.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.15 -18.81 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 40.23 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.79 144.58 16.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.14 112.511 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.7 p -51.96 -31.93 31.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 74.54 111.139 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -38.47 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.01 111.142 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -77.96 -35.25 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.865 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -75.4 -12.54 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.855 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.78 -51.66 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.975 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -62.95 159.07 49.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 75.04 110.879 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.8 179.77 3.49 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 72.42 112.332 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.26 -32.38 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.909 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.25 -47.69 63.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG11 HD12 ' A' ' 70' ' ' LEU . 92.6 t -71.58 -40.12 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.114 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -63.7 -25.09 68.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.888 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -99.85 -20.92 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.823 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -92.95 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.33 110.93 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.21 130.96 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 61.22 111.143 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.74 177.15 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.71 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 60.14 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.68 -56.51 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 55.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -51.67 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -47.82 62.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 62.1 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.77 -35.75 81.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.27 -40.24 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.823 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.88 -44.23 81.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.875 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 34.3 mmt -72.38 -32.99 66.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.84 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.4 tt -67.08 -58.45 4.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.835 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.3 64.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.082 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.77 74.58 79.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.541 0.686 . . . . 74.41 110.854 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.0 Cg_endo -69.81 -9.64 26.59 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.73 2.287 . . . . 71.34 112.245 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -61.63 -20.84 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 60.53 110.792 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.24 -19.27 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 91' ' ' PRO . 97.2 t -51.42 144.2 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 75.05 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -63.1 159.84 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 64.41 110.942 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.512 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 2.9 ptp85 -178.11 159.53 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.24 110.847 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.9 Cg_endo -69.6 154.86 92.99 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.756 -1.768 . . . . 63.23 112.413 -0.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.78 130.25 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.147 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.19 122.36 47.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 64.2 110.951 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.18 127.95 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 64.22 110.896 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -138.73 108.9 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.908 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t0 57.74 26.26 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.944 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.89 -33.41 6.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 31.54 112.454 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -61.91 136.43 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 41.15 110.903 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HB3' HG21 ' A' ' 54' ' ' VAL . 9.0 tp -109.75 120.39 42.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 mmt -114.18 138.97 49.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.914 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.41 144.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.1 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.54 146.26 49.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.42 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.69 156.01 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 74.21 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -51.89 160.66 1.08 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.54 0.686 . . . . 73.41 110.95 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.58 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 72.25 112.299 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.87 80.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.094 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -72.01 -49.36 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 63.54 110.856 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.5 -42.93 75.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.51 -50.49 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 54.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -24.22 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.23 111.084 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.66 -56.71 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.923 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.14 -28.87 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 73.25 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -61.55 144.31 54.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.891 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 120' ' ' LEU . 12.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 62.42 110.923 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.448 0.471 . . . . 53.12 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.78 23.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 61.23 112.354 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.49 97.93 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 62.35 112.458 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 m -75.97 -43.75 43.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 72.23 110.846 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.4 tpt -86.02 123.12 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.914 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -89.89 108.54 19.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 73.31 110.844 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 32' ' ' TYR . 40.3 t -101.1 147.65 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 54.24 111.1 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -112.48 125.65 54.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 55.12 111.107 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 33' ' ' THR . 12.7 tt -114.82 140.15 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.127 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.652 ' OH ' HD23 ' A' ' 42' ' ' LEU . 5.7 t80 -89.26 149.63 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 60.44 110.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.05 174.43 34.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 61.14 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.436 HG22 ' HD2' ' A' ' 37' ' ' TYR . 25.0 pt -140.35 160.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.978 0.418 . . . . 72.24 111.165 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -71.96 142.41 49.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.52 110.875 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.21 56.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 43.33 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -119.94 160.57 22.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.11 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 -50.6 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 54.43 110.864 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.657 HG21 ' HD3' ' A' ' 96' ' ' ARG . 13.3 t -51.67 -32.53 29.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.53 111.234 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.73 -45.92 91.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.921 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -53.89 -51.51 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -60.83 -47.23 87.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 71.32 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.99 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 53.12 111.14 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -49.15 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 70.51 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.74 -35.3 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 74.45 111.093 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -67.18 -56.0 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 HD12 ' A' ' 30' ' ' ILE . 4.4 mm? -60.21 -47.49 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.24 110.99 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.99 -45.31 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.904 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.73 -45.64 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.94 -17.0 61.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.16 20.47 13.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 61.3 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD12 HD13 ' A' ' 25' ' ' LEU . 48.1 mt -107.43 148.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.36 . . . . 74.32 111.104 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -116.32 115.34 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.856 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' HG11 ' A' ' 7' ' ' VAL . 2.5 m-85 -114.92 143.42 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.953 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 9' ' ' ILE . 10.6 m -82.74 117.72 22.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -77.07 116.04 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 74.4 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -119.18 104.74 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.47 136.62 32.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HD2' HG22 ' A' ' 12' ' ' ILE . 11.3 p90 -51.38 -33.56 30.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.985 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -79.94 -40.39 28.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 74.3 110.879 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -54.08 -47.62 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.4 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.69 -24.06 20.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.76 100.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.435 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.652 HD23 ' OH ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -63.02 131.06 47.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 61.22 110.86 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 42' ' ' LEU . 59.8 m-20 -138.43 162.67 33.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 53.01 110.888 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -51.55 -31.55 24.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 54.41 111.114 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -65.68 -51.32 60.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 65.44 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.419 HG22 ' CE2' ' A' ' 50' ' ' PHE . 3.3 m -64.05 -47.3 80.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.135 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.5 OUTLIER -57.5 -48.21 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.884 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.96 -47.4 86.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 70.5 110.92 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -57.68 -40.52 79.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.1 m-85 -72.18 -33.17 67.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 71.14 110.871 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.02 -39.89 83.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.905 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -66.8 -29.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.905 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 p -87.98 -27.89 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.44 111.164 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 HD23 ' A' ' 105' ' ' LEU . 59.9 t -144.11 133.29 11.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.634 0.731 . . . . 51.22 111.115 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 54' ' ' VAL . 52.6 Cg_endo -69.89 145.06 55.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 74.41 112.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -53.16 -41.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.955 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.43 -31.04 32.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 74.32 110.909 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -116.9 24.5 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.949 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.84 -22.44 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 61.44 110.876 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.8 OUTLIER -117.8 149.94 39.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.96 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.46 143.59 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.865 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -56.25 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.805 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.09 29.68 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 40.23 111.089 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.56 151.48 18.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.796 -0.716 . . . . 64.14 112.503 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.5 p -52.15 -33.52 40.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 74.54 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.84 71.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 75.01 111.222 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.63 -34.8 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.874 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -76.72 -5.24 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 73.52 110.85 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -60.76 -40.8 93.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.43 110.921 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.13 HD22 HG11 ' A' ' 74' ' ' VAL . 12.4 mt -92.97 156.29 40.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 75.04 110.922 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.61 -178.42 2.28 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.734 2.289 . . . . 72.42 112.377 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.4 -36.19 71.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 64.42 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -51.76 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.887 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.13 HG11 HD22 ' A' ' 70' ' ' LEU . 80.3 t -62.23 -38.13 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.151 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 78' ' ' VAL . 6.3 mmp_? -75.74 -21.68 57.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -23.19 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.3 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -94.61 21.32 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 63.33 110.893 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 75' ' ' ARG . 10.9 p -86.73 135.68 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 61.22 111.125 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.61 179.91 5.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.873 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 60.14 111.087 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.69 -58.23 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 55.31 111.081 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -51.55 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.859 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.87 -47.25 64.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.498 . . . . 62.1 111.073 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -59.65 -48.0 83.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.38 -53.03 62.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.934 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.42 -53.85 48.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.943 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -57.97 -32.63 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.9 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 42' ' ' LEU . 2.3 tt -65.03 -56.81 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 71.42 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.25 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.07 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -119.41 79.31 20.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 74.41 110.937 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -7.45 21.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 71.34 112.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.8 m -58.48 -20.66 47.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 60.53 110.867 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.9 mtp -80.29 -19.22 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.89 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.83 136.03 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.05 111.166 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -51.65 159.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.883 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HD3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -174.44 159.67 2.64 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.632 0.729 . . . . 73.24 110.833 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.69 153.82 92.9 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 63.23 112.322 -0.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 87.9 t -117.43 137.96 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.181 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.0 mp -113.96 127.37 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 64.2 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -111.73 139.47 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -160.01 112.97 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 t0 54.21 30.38 12.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.85 26.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 31.54 112.474 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -72.34 123.63 23.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 41.15 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 54' ' ' VAL . 8.8 tp -100.46 146.38 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttt -133.0 139.68 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.891 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.84 127.54 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.142 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 173.08 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.522 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -144.9 156.08 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.895 0.379 . . . . 74.21 110.878 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -51.97 160.59 1.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 73.41 110.923 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -48.84 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 72.25 112.389 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.55 84.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.091 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -69.57 -48.85 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.54 110.865 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.34 72.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.915 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.43 -50.69 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 54.12 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.05 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -82.77 -38.66 22.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.878 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -56.0 -29.18 59.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -80.75 129.34 34.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.91 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.916 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 121.486 0.492 . . . . 53.12 112.58 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 128.9 16.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.24 . . . . 61.23 112.351 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.24 162.91 22.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 62.35 112.491 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -75.97 -41.88 50.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 72.23 110.819 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.0 ttm -116.47 146.14 42.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 62.03 110.859 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -105.46 148.51 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 73.31 110.829 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 32' ' ' TYR . 8.8 p -130.54 137.71 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 54.24 111.126 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.7 m -125.67 140.13 52.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 55.12 111.165 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tt -115.39 137.45 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.44 111.131 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -97.89 145.88 26.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 60.44 110.951 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.85 -170.31 32.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 61.14 112.451 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.705 HG22 ' CD1' ' A' ' 37' ' ' TYR . 28.9 pt -130.52 174.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 72.24 111.139 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -89.59 142.29 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 73.52 110.862 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t30 63.36 60.01 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 43.33 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.64 163.05 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 62.11 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.16 -45.27 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 54.43 110.838 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD3' ' A' ' 97' ' ' PRO . 0.6 OUTLIER -51.55 -56.97 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 64.53 111.156 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 75.0 mmm -53.46 -37.56 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -56.64 -51.56 68.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -63.74 -47.34 81.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.909 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -57.3 -44.26 83.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.12 111.07 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -64.28 -49.34 72.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 70.51 110.818 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -58.84 -36.71 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.167 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -68.53 -48.8 63.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.935 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 21' ' ' ALA . 3.8 mm? -59.4 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.86 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -67.8 -34.9 77.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -62.72 -46.13 89.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.823 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -17.1 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 71.45 110.861 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.99 36.24 8.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 61.3 112.478 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mt -107.29 143.91 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.32 111.115 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.23 120.64 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.85 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CE1' HG11 ' A' ' 7' ' ' VAL . 3.4 m-85 -136.65 134.71 37.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 70.01 110.947 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -86.66 123.53 31.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 70.0 111.098 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -78.23 122.61 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.51 119.5 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.92 136.01 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.8 p90 -52.4 -34.33 47.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.903 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -85.77 -34.55 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -53.95 -32.43 53.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 74.4 110.891 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -118.28 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 71.13 110.773 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.58 104.66 2.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 54.13 112.484 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 115.91 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 61.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.4 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 53.01 110.865 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.18 85.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -56.57 -51.58 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 65.44 110.924 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -53.22 47.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.126 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -52.36 -47.62 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.887 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.52 -42.67 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.5 110.843 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -58.17 -41.96 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.856 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD22 ' A' ' 105' ' ' LEU . 14.9 m-85 -71.19 -40.5 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.39 -30.68 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 70.24 110.902 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.43 -50.65 15.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -68.04 -32.46 72.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.52 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.6 t -143.9 133.38 11.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.577 0.703 . . . . 51.22 111.144 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.0 Cg_endo -69.87 148.48 64.42 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.645 2.23 . . . . 74.41 112.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.517 ' O ' HD23 ' A' ' 60' ' ' LEU . 60.8 p-90 -52.41 -42.83 64.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.961 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.04 -30.18 24.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.847 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -118.19 24.92 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 54' ' ' VAL . 15.5 tp -128.55 6.53 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.905 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -150.34 148.62 29.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.866 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.31 143.32 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.89 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -114.61 -49.1 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.02 29.53 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 40.23 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.45 158.78 16.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 64.14 112.47 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -52.51 -38.26 59.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.54 111.069 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -46.56 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.01 111.144 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -70.84 -35.13 72.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -75.57 -6.19 49.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.866 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -38.91 86.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.91 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -93.18 158.82 36.62 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.707 . . . . 75.04 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 -177.28 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 72.42 112.358 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -36.2 71.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.45 -51.92 60.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.845 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 71' ' ' PRO . 78.6 t -61.84 -35.93 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 71.3 111.145 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -77.91 -22.92 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 70.2 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.8 t -89.21 -23.14 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.3 110.902 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -95.56 25.15 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 63.33 110.908 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.41 134.27 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.22 111.117 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -135.76 -176.11 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.02 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.9 -59.22 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.068 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 55.31 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -53.73 -51.79 62.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.89 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.89 -54.17 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.1 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -53.33 -45.97 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.98 -49.51 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 83' ' ' ALA . 11.6 mt -54.06 -52.33 61.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.2 mmt -63.08 -33.29 75.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.901 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 88' ' ' LEU . 1.5 tm? -61.17 -53.1 61.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.79 -46.97 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.31 111.079 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.38 79.43 60.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 74.41 110.925 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.717 2.278 . . . . 71.34 112.361 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.4 t -59.37 -21.29 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 60.53 110.9 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -19.33 46.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.33 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.5 142.76 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.05 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -50.78 147.6 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.871 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.509 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 21.4 mtm105 -153.35 160.66 30.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 73.24 110.86 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.3 Cg_endo -69.81 170.07 60.48 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 -1.813 . . . . 63.23 112.344 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.501 HG11 HD21 ' A' ' 105' ' ' LEU . 92.2 t -123.88 127.89 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 75.11 111.141 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.57 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -107.54 122.42 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 64.2 110.887 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -108.53 140.71 41.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.899 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -172.58 127.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 53.99 27.56 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 73.03 110.893 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.03 -45.1 3.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.761 -0.733 . . . . 31.54 112.577 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -61.71 128.12 34.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 41.15 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.721 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.3 tp -97.08 152.46 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.1 mtm -131.1 146.53 52.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.893 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.86 135.47 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 166.05 21.79 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.452 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -144.45 156.06 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 74.21 110.82 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -51.41 160.8 0.9 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 73.41 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.47 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 72.25 112.332 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.28 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.06 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.07 -49.18 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.995 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.5 -41.65 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.988 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.55 -50.53 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 54.12 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -27.5 67.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -82.36 -41.43 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.925 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.87 -32.65 63.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.874 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -68.66 150.48 47.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.878 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.903 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 121.401 0.445 . . . . 53.12 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.76 12.53 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.681 2.254 . . . . 61.23 112.388 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.16 49.19 0.89 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.684 -0.769 . . . . 62.35 112.427 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -63.48 -53.0 58.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 72.23 110.887 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.84 97.44 10.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 62.03 110.921 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -113.84 131.1 56.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.31 110.887 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 33.4 t -104.89 148.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 54.24 111.092 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.461 HG23 ' HB ' ' A' ' 33' ' ' THR . 15.6 m -119.68 130.03 54.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 55.12 111.106 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -115.11 137.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 62.44 111.17 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -114.82 149.31 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 60.44 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.76 -158.42 20.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 61.14 112.457 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 14' ' ' ASN . 43.8 pt -144.8 174.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 72.24 111.096 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -102.9 26.24 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.923 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' A' ' 12' ' ' ILE . 49.4 t30 -122.91 24.82 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 43.33 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -138.68 178.16 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.901 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -118.09 -30.54 5.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 54.43 110.85 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -52.4 -34.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.165 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 74.7 mmm -62.71 -40.32 96.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.885 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.55 -51.5 69.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 54.5 110.909 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -62.12 -45.4 93.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 71.32 110.877 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -59.43 -51.94 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 53.12 111.149 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -56.82 -48.99 76.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.51 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mt -61.66 -37.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.069 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.81 -35.62 78.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 21' ' ' ALA . 4.0 mm? -75.0 -51.35 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 70.24 110.961 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -31.78 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.895 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.24 -43.24 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.865 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -62.31 -17.13 57.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.819 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.85 22.66 20.13 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 61.3 112.512 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 25' ' ' LEU . 25.7 mt -107.43 146.58 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 74.32 111.173 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.91 109.56 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.875 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.01 142.72 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.926 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 8' ' ' THR . 3.3 m -82.96 113.38 20.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 70.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -77.17 120.47 22.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.887 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -125.13 122.6 37.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.792 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.65 132.6 42.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.919 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CD1' HD23 ' A' ' 42' ' ' LEU . 20.2 m-85 -68.72 -45.22 72.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.917 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -74.12 -48.07 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 74.3 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -56.07 -46.7 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.32 -74.06 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.828 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 163.76 10.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 54.13 112.501 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -138.19 113.53 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 61.22 110.909 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.3 176.81 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 53.01 110.863 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.79 -32.82 74.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 54.41 111.14 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.48 -48.27 81.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 65.44 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -47.1 64.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.124 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.33 -50.43 74.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 72.53 110.884 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.06 -46.56 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 70.5 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -55.18 -43.86 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.867 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 105' ' ' LEU . 20.6 m-85 -73.42 -32.3 64.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.9 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -66.43 -37.24 84.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 70.24 110.929 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.94 -38.53 79.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.94 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -78.82 -26.75 44.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -147.19 133.32 9.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 51.22 111.125 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.2 Cg_endo -69.86 147.02 61.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 74.41 112.38 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.683 ' O ' HD23 ' A' ' 60' ' ' LEU . 64.9 p-90 -52.99 -38.57 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.21 -26.31 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.837 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -118.65 26.81 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.897 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 105' ' ' LEU . 10.0 tp -132.73 13.57 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 61.44 110.938 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.25 149.43 30.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.895 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.571 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.01 140.44 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.864 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -112.27 -55.34 2.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.75 29.63 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 40.23 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.48 161.85 16.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 64.14 112.429 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.2 p -57.72 -31.8 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 74.54 111.168 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.01 111.08 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -75.15 -34.86 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.02 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -81.48 -4.26 55.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.864 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -60.39 -19.59 56.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.117 HD22 HG11 ' A' ' 74' ' ' VAL . 13.6 mt -117.46 156.53 49.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 75.04 110.901 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.74 177.4 5.61 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 72.42 112.355 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.37 -35.62 79.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.891 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.76 -51.76 63.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.844 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.117 HG11 HD22 ' A' ' 70' ' ' LEU . 77.9 t -60.81 -55.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.3 111.126 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.646 ' NH2' HG21 ' A' ' 78' ' ' VAL . 19.2 mmm180 -58.12 -23.59 55.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 70.2 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -78.44 -16.63 57.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.827 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -93.2 17.3 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 63.33 110.88 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.646 HG21 ' NH2' ' A' ' 75' ' ' ARG . 85.3 t -81.23 136.7 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 61.22 111.134 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -137.5 -179.16 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.883 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -61.76 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 60.14 111.125 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -56.58 12.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 55.31 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -51.12 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.871 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.3 -49.95 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.126 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -62.51 -35.24 78.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.94 -40.34 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.826 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.39 -42.74 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 33.3 mmt -72.24 -34.05 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.897 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.3 tm? -67.36 -57.87 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.63 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.136 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -131.54 74.52 78.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.691 . . . . 74.41 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.9 Cg_endo -69.72 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 71.34 112.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.7 p -60.1 -25.4 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 60.53 110.846 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.4 mtt -80.79 -19.32 45.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.33 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 91' ' ' PRO . 93.2 t -51.75 136.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 75.05 111.115 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -52.02 163.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.932 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -176.93 159.58 1.5 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 73.24 110.898 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 52.8 Cg_endo -69.81 147.09 84.04 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 -1.786 . . . . 63.23 112.277 0.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' HD12 ' A' ' 99' ' ' LEU . 94.2 t -101.74 135.58 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 75.11 111.136 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 98' ' ' VAL . 10.6 mp -117.44 125.16 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.936 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -111.03 124.19 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.872 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -140.96 112.14 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.895 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.8 t0 55.23 28.04 10.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.03 110.884 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -42.6 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 31.54 112.491 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -60.3 129.09 39.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 41.15 110.851 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 59' ' ' LEU . 6.8 tp -103.87 140.23 37.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.918 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.4 mtp -132.18 156.84 45.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.854 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.33 145.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.18 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.43 175.55 7.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 74.34 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.53 155.84 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 74.21 110.925 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -51.73 160.72 1.01 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.492 0.663 . . . . 73.41 110.95 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.89 0.62 Allowed 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.664 2.243 . . . . 72.25 112.356 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.92 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -69.27 -48.8 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.54 110.864 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.21 -48.66 75.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.935 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.39 -46.72 82.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.54 84.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 72.23 111.085 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -38.31 90.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.947 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.61 25.09 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.85 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -89.08 134.47 33.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.88 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 62.42 110.958 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 121.516 0.509 . . . . 53.12 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.44 48.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.794 2.329 . . . . 61.23 112.305 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.11 72.74 0.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 62.35 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 t -57.73 -51.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 72.23 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.78 174.89 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 62.03 110.903 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -134.68 144.63 47.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.843 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD11 ' A' ' 99' ' ' LEU . 59.9 t -91.12 145.68 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 54.24 111.156 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -108.53 124.11 49.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 55.12 111.239 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.0 tt -114.7 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -109.53 157.8 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 60.44 110.843 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.97 -160.18 23.0 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.494 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.04 176.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 72.24 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -80.67 -56.16 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.8 73.57 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.0 t -157.2 149.2 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 62.11 110.856 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.38 -32.71 8.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 54.43 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 m -53.8 -45.02 70.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.53 111.097 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 81.6 mmm -51.8 -38.93 57.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.88 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -54.77 -51.53 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.5 110.898 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -64.84 -42.29 95.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 71.32 110.854 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.38 92.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 53.12 111.106 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -65.51 -49.38 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 70.51 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -57.42 -37.33 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.45 111.196 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -68.5 -55.14 12.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.25 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.41 -40.35 86.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 70.24 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -69.71 -45.53 68.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.956 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.87 -45.02 82.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.845 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.87 -17.03 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.57 18.77 34.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 61.3 112.493 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -107.54 148.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 74.32 111.085 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -114.5 121.5 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.849 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.56 153.29 27.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 70.01 110.947 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.59 108.26 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 70.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -78.45 118.98 21.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 74.4 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -124.48 105.18 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.891 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.75 132.34 34.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 70.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.707 ' CD1' HD23 ' A' ' 42' ' ' LEU . 32.9 m-85 -71.39 -30.56 66.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.934 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -74.55 -59.01 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 74.3 110.902 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -54.18 -47.49 71.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.923 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.873 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.03 99.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.466 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -66.22 130.83 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 61.22 110.936 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.632 ' N ' HD13 ' A' ' 42' ' ' LEU . 1.2 p-10 -118.06 166.74 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.01 110.863 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.22 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.41 111.099 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.05 -50.75 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 65.44 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -62.1 -49.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 73.34 111.139 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.3 OUTLIER -54.36 -49.65 69.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.978 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.52 -47.08 86.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.5 110.85 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -55.51 -44.47 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.816 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD1' HD22 ' A' ' 105' ' ' LEU . 23.2 m-85 -73.17 -27.71 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.2 OUTLIER -70.22 -37.85 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 70.24 110.943 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.74 -44.99 63.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.885 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.521 HG21 ' O ' ' A' ' 103' ' ' GLY . 17.7 p -72.5 -33.01 66.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.182 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 105' ' ' LEU . 59.0 t -137.94 133.35 17.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 51.22 111.144 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 74.41 112.386 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 44.9 p-90 -56.41 -24.82 47.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -64.14 -32.72 74.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 74.32 110.949 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.41 28.99 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 105' ' ' LEU . 19.6 tp -114.82 -17.27 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 61.44 110.942 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -127.75 148.4 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.921 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.73 143.96 11.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.868 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 -38.63 5.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.94 -22.92 18.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 40.23 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.36 146.43 15.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.465 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -51.58 -33.63 33.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 74.54 111.132 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 m -53.06 -37.08 61.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 75.01 111.115 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -78.32 -34.59 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 75.02 110.857 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -80.76 -3.92 52.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.815 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -59.94 -20.62 58.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -111.95 157.65 39.03 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.629 0.728 . . . . 75.04 110.917 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.72 179.24 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 72.42 112.385 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -71.5 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 64.42 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -73.53 -51.86 15.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 73.43 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 71' ' ' PRO . 75.9 t -58.22 -55.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 71.3 111.161 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' HG12 ' A' ' 78' ' ' VAL . 18.3 mmm180 -58.23 -24.93 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.9 t -78.1 -19.7 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.911 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.16 24.1 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 63.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 75' ' ' ARG . 11.5 p -88.59 135.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.11 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -142.94 -171.84 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.01 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.14 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.39 -57.12 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 55.31 111.106 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.75 -48.83 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.856 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -49.09 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.1 111.061 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -63.78 -36.83 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.51 -43.96 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.01 -48.61 75.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.535 ' HB3' HD21 ' A' ' 47' ' ' LEU . 32.2 mmt -66.88 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.833 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 9.0 tt -66.45 -48.03 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -48.17 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.061 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -125.67 76.81 70.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 74.41 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.574 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.77 -7.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 71.34 112.357 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.5 m -66.27 -11.26 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.53 110.848 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -79.7 -19.19 49.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.906 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.5 m -56.51 158.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.124 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -69.51 166.55 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 64.41 110.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -165.48 156.67 12.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 73.24 110.849 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.81 160.74 87.66 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.736 -1.777 . . . . 63.23 112.337 0.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -114.1 128.96 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 75.11 111.132 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 100' ' ' GLU . 5.3 tt -116.89 139.06 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.928 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.5 tm-20 -119.06 143.05 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -172.06 124.32 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t70 62.76 36.98 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.521 ' O ' HG21 ' A' ' 53' ' ' THR . . . 66.35 17.4 66.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 31.54 112.53 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 41.15 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.688 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.2 tp -96.98 140.77 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.894 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.3 mtm -130.34 149.26 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.898 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.94 142.16 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.154 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 171.82 10.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 74.34 112.504 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.78 156.03 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 74.21 110.929 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -55.02 159.26 3.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 73.41 110.981 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 72.25 112.378 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.73 80.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -72.16 -48.86 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 63.54 110.952 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -56.06 -42.9 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.881 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.57 -50.48 36.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.12 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.75 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.23 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -81.39 -56.31 4.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.88 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.929 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -84.83 130.7 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 73.12 110.849 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 62.42 110.937 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 121.518 0.51 . . . . 53.12 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -171.52 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 61.23 112.303 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.51 91.06 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 62.35 112.461 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 m -86.25 -34.97 20.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 72.23 110.878 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.13 168.61 11.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 62.03 110.865 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.3 p -140.18 150.43 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.848 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 31' ' ' ASP . 10.8 p -90.9 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 54.24 111.103 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 26.9 m -129.19 145.45 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 55.12 111.123 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 33' ' ' THR . 10.2 tt -115.15 137.98 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 62.44 111.092 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -110.13 133.87 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.861 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.0 -161.75 13.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.62 -0.8 . . . . 61.14 112.465 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 37' ' ' TYR . 38.9 pt -131.54 168.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 72.24 111.133 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -109.81 37.61 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -140.15 46.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 43.33 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.24 -178.43 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.11 110.877 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.16 -31.33 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 54.43 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -52.25 -42.4 63.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 64.53 111.073 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -38.63 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.34 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -56.8 -51.58 68.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 54.5 110.935 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.13 -47.56 84.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.875 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -46.33 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 53.12 111.11 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -62.7 -49.28 75.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 70.51 110.847 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.42 -33.85 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.45 111.16 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -53.52 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.25 110.927 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -62.33 -35.53 79.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.939 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.65 -51.45 16.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.911 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -54.86 -45.77 74.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.41 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.64 -16.89 63.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 71.45 110.814 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 48.32 9.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.824 -0.703 . . . . 61.3 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 25' ' ' LEU . 74.6 mt -105.83 138.57 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 74.32 111.145 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 33.6 t70 -81.16 105.85 12.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.851 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.37 134.84 19.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.96 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 9' ' ' ILE . 3.1 m -89.24 140.64 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -90.21 124.51 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 8' ' ' THR . 0.3 OUTLIER -128.19 124.0 35.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.838 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.79 151.41 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 70.42 110.819 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.692 ' CD1' HG22 ' A' ' 12' ' ' ILE . 10.3 p90 -57.85 -33.03 68.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.95 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -87.04 -53.12 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.3 110.935 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -53.99 -47.39 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 74.4 110.875 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.75 -24.84 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 71.13 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.63 97.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 54.13 112.435 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -79.12 110.07 14.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 61.22 110.898 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -107.43 176.77 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 53.01 110.845 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -60.54 -42.68 97.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 54.41 111.171 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.93 -50.59 66.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 65.44 110.876 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.622 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.43 -50.8 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.159 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.28 -44.91 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.864 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -63.5 -50.1 70.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.863 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -55.26 -39.14 69.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.836 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.622 ' CE2' HG22 ' A' ' 46' ' ' THR . 15.6 m-85 -72.98 -36.65 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.14 110.899 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -65.21 -37.32 86.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.909 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -67.9 -40.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.917 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.7 m -76.71 -30.9 56.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 72.44 111.118 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -142.24 133.33 12.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 51.22 111.146 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.3 Cg_endo -69.81 146.93 61.4 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.77 2.313 . . . . 74.41 112.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -54.8 -28.58 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.954 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.64 -32.39 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.87 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -122.31 29.01 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.93 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 54' ' ' VAL . 6.5 tp -121.34 -40.68 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.901 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -99.1 146.19 26.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.44 110.888 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.681 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.67 144.3 56.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.874 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.63 -44.57 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.832 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.68 -21.76 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 40.23 111.096 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.19 176.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 64.14 112.478 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.7 p -80.46 -35.66 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 74.54 111.152 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.2 p -53.13 -46.73 68.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.01 111.144 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -73.69 -35.01 65.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 75.02 110.903 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -63.86 -18.49 64.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 73.52 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -60.92 -52.58 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.844 HD22 HG11 ' A' ' 74' ' ' VAL . 41.8 mt -61.65 156.21 55.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 75.04 110.892 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.84 179.12 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.605 2.203 . . . . 72.42 112.374 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -71.35 -31.31 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 64.42 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.44 -51.59 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.821 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.844 HG11 HD22 ' A' ' 70' ' ' LEU . 94.2 t -66.63 -40.72 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.3 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.42 -29.03 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.0 -18.02 19.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.869 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -92.94 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 63.33 110.854 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -95.76 131.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.118 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -120.02 178.51 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.874 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.98 -59.84 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 60.14 111.066 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.7 -57.25 9.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 55.31 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -49.91 67.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.853 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.44 60.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 62.1 111.082 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.2 -42.94 92.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.61 -47.59 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.885 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.91 -53.62 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.32 -32.62 74.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.819 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 44' ' ' ALA . 9.9 tt -61.39 -53.92 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.72 -48.22 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.105 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -122.58 79.18 47.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 74.41 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 71.34 112.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 p -58.45 -20.74 47.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 60.53 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 mtp -80.35 -19.26 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.33 110.937 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 143.31 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.05 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -51.15 162.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.927 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.531 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 3.0 ptt-85 -174.71 155.82 2.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 73.24 110.825 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.5 Cg_endo -69.83 154.51 93.49 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 -1.806 . . . . 63.23 112.296 0.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.706 HG22 ' HD2' ' A' ' 95' ' ' LYS . 95.2 t -114.99 126.46 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 75.11 111.086 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -112.34 119.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 64.2 110.889 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.94 114.28 28.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.962 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -122.04 111.21 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.82 33.34 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.03 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.25 -41.41 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.666 -0.778 . . . . 31.54 112.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -60.74 133.88 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 41.15 110.854 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 50' ' ' PHE . 6.7 tp -99.54 134.03 43.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.948 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.02 141.83 49.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.852 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.671 HG12 ' HD3' ' A' ' 95' ' ' LYS . 22.6 m -92.17 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.01 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.77 164.72 26.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 74.34 112.496 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -143.0 155.63 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 74.21 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -52.33 160.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 73.41 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 72.25 112.326 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.095 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -69.45 -49.8 51.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.54 110.962 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -54.36 -40.27 67.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.933 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.58 -50.24 39.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 54.12 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.79 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.23 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -82.44 -39.92 21.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.91 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.11 -31.27 63.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.907 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -77.45 128.25 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.964 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 121.412 0.451 . . . . 53.12 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.26 62.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 61.23 112.319 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.21 88.08 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.811 -0.709 . . . . 62.35 112.467 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.5 m -69.38 -39.96 77.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.896 0.379 . . . . 72.23 110.893 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.1 mmt -60.71 160.94 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 62.03 110.866 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -84.78 141.22 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.83 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.87 145.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 54.24 111.175 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.41 HG23 ' HB ' ' A' ' 33' ' ' THR . 19.7 m -108.95 126.06 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 55.12 111.125 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tt -114.86 137.8 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 62.44 111.169 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -113.13 149.67 33.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.17 -162.29 25.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 61.14 112.445 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 pt -144.47 144.17 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 72.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -74.82 -11.08 60.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.937 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.19 39.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 43.33 110.897 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.0 t -157.08 121.76 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 62.11 110.879 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -38.1 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.846 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -51.8 -42.69 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.151 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.885 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 23' ' ' ILE . 19.9 ttmt -52.77 -51.21 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 54.5 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -53.72 -50.46 65.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.954 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -51.99 63.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 53.12 111.119 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -59.47 -49.14 78.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.851 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 19' ' ' LYS . 25.5 mt -58.46 -34.32 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.45 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -69.29 -50.1 49.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.75 -46.89 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 70.24 110.866 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -68.86 -36.11 77.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.892 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.3 -45.47 94.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.897 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -66.5 -16.98 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 25.15 14.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 61.3 112.535 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.2 mt -107.11 149.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.875 0.369 . . . . 74.32 111.137 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.91 110.52 21.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.842 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -115.23 152.21 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.01 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.41 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -82.58 108.2 15.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 70.0 111.11 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.11 118.04 19.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -123.68 116.06 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.865 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.53 132.95 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 70.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.521 ' HD1' HD23 ' A' ' 42' ' ' LEU . 13.1 m-85 -71.31 -34.87 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.89 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -50.36 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.895 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -54.19 -47.46 72.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.905 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.85 -25.89 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.9 111.16 0.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 54.13 112.518 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -80.88 112.47 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 61.22 110.875 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -104.32 176.5 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 53.01 110.877 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.44 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.41 111.127 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.6 -48.42 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 65.44 110.912 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -47.91 67.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.4 OUTLIER -57.68 -50.72 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.858 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.09 -50.12 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 70.5 110.841 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -55.09 -44.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.874 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -70.65 -30.89 67.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.927 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -67.78 -40.87 83.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 70.24 110.856 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -67.86 -49.42 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.921 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 p -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 72.44 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 105' ' ' LEU . 58.4 t -143.45 133.32 11.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 51.22 111.06 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.4 Cg_endo -69.75 140.74 43.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 74.41 112.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HB3' HD21 ' A' ' 51' ' ' LEU . 58.6 p-90 -55.44 -27.4 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 72.32 110.917 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.82 -26.72 68.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.913 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -121.93 29.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.3 tp -131.34 4.02 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 61' ' ' ASN . 2.0 pp -148.07 130.47 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.634 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.05 143.96 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.911 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -29.85 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.87 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.55 29.75 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 40.23 111.175 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.97 168.55 12.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.704 -0.76 . . . . 64.14 112.46 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -53.0 -31.49 41.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 74.54 111.1 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -52.79 -51.31 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 75.01 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -66.55 -34.43 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -76.54 -6.26 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.9 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -64.18 -52.74 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.49 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -84.45 158.91 59.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.708 . . . . 75.04 110.924 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.84 179.58 3.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 72.42 112.337 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.39 -27.21 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.895 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.8 -51.86 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.834 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 71' ' ' PRO . 76.1 t -59.8 -47.93 89.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 71.3 111.101 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -66.4 -22.8 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -78.07 -22.81 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -94.95 22.07 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.33 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.13 130.57 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.144 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -142.04 -174.56 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.863 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.16 -59.72 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.099 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.35 -58.22 6.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 55.31 111.136 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -45.15 71.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 73.02 110.906 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -53.76 -49.08 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 62.1 111.089 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -61.78 -45.19 94.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.09 -42.64 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 75.34 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.3 mt -61.54 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 74.11 110.912 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.598 ' HB3' HD21 ' A' ' 47' ' ' LEU . 31.7 mmt -61.41 -32.73 72.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.868 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.53 -48.46 72.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 71.42 110.901 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.17 -48.2 45.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.1 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.42 78.63 54.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 74.41 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.87 -7.75 21.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 71.34 112.322 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.7 p -63.94 -15.42 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.53 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.87 -19.3 48.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 71.33 110.926 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 91' ' ' PRO . 90.4 t -55.35 133.78 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.05 111.093 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.661 ' HD3' HG13 ' A' ' 107' ' ' VAL . 18.9 ptpt -56.66 158.62 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.903 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 1.2 ptp85 -169.97 159.38 6.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.708 . . . . 73.24 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.66 161.22 86.33 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.743 -1.774 . . . . 63.23 112.412 -0.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.643 HG11 HD21 ' A' ' 105' ' ' LEU . 63.2 t -123.48 143.48 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.08 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mp -121.8 143.61 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.859 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -121.1 144.62 48.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 64.22 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -171.25 119.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.93 32.88 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.867 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.22 -45.08 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 31.54 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.84 130.45 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 41.15 110.972 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.643 HD21 HG11 ' A' ' 98' ' ' VAL . 7.4 tp -98.17 150.85 21.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 75.31 110.938 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 ttm -124.79 143.31 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.903 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.661 HG13 ' HD3' ' A' ' 95' ' ' LYS . 41.2 t -92.09 135.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.01 111.168 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.45 171.01 11.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.653 -0.784 . . . . 74.34 112.487 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -145.56 153.71 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 74.21 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -52.65 161.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 73.41 110.955 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 -48.46 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 72.25 112.355 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.77 92.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -68.11 -48.83 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 63.54 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.56 -47.09 76.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.997 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -47.49 78.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 54.12 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.82 79.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 72.23 111.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -29.95 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.856 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.75 -26.12 44.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 73.25 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.08 131.29 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.855 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.42 111.0 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.401 0.445 . . . . 53.12 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 112.71 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.745 2.297 . . . . 61.23 112.343 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.95 59.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 62.35 112.464 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -66.19 -27.67 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 72.23 110.845 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.0 ttp -95.63 104.21 16.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 62.03 110.88 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.53 155.37 30.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.791 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 32' ' ' TYR . 14.7 p -127.02 132.89 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 54.24 111.088 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.5 m -115.79 134.62 54.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 55.12 111.059 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 33' ' ' THR . 11.2 tt -114.62 137.72 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.168 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -111.52 133.75 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 60.44 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.89 -163.67 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 61.14 112.552 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 pt -136.46 176.59 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 72.24 111.125 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -93.58 -25.67 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.927 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -86.07 55.07 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 43.33 110.913 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -157.13 138.08 13.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.821 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -35.64 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 54.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -43.28 61.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.108 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 84.4 mmm -51.7 -47.11 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.862 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -50.86 -51.63 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 54.5 110.917 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -61.09 -40.01 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.915 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.6 64.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 53.12 111.087 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.09 86.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.51 110.883 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -56.35 -38.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 74.45 111.11 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -69.43 -55.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.21 -42.26 81.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 70.24 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.23 -46.89 78.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.893 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -59.02 -38.59 79.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -71.91 -16.95 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.45 110.849 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 31.39 23.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 61.3 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mt -107.48 149.17 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.32 111.122 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.43 132.74 45.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.877 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.542 ' CE1' HG11 ' A' ' 7' ' ' VAL . 4.2 m-85 -139.83 137.98 35.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 70.01 110.885 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -83.3 110.08 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.13 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.84 117.09 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.852 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.51 123.51 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.814 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.22 132.35 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -57.03 -40.56 76.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.969 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -50.44 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.876 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -54.58 -47.31 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.873 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -64.42 -51.69 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.86 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.4 117.23 4.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 54.13 112.499 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.71 125.65 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 61.22 110.962 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.0 177.08 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 53.01 110.906 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.38 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 54.41 111.068 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -51.31 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 65.44 110.913 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -58.73 -50.09 75.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.161 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.35 -54.74 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.927 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.55 -47.68 69.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 70.5 110.884 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -56.86 -42.65 80.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.873 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -71.27 -27.55 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.951 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -59.1 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 70.24 110.924 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -55.14 -30.11 59.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.6 m -84.4 -32.54 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.44 111.149 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.4 t -147.85 133.27 9.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 51.22 111.131 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.8 Cg_endo -69.73 139.14 39.6 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.742 2.295 . . . . 74.41 112.413 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -54.89 -26.64 37.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 72.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.88 -32.62 66.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 74.32 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.45 27.57 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 73.33 110.867 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' HB ' ' A' ' 54' ' ' VAL . 5.4 tp -115.59 -30.04 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -117.12 148.63 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.942 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.97 142.05 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 71.33 110.905 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -106.64 -28.51 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.899 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.84 29.62 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.062 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.34 158.4 18.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.446 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -60.01 -31.84 70.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 74.54 111.144 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.7 p -53.69 -48.3 69.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 75.01 111.17 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -68.59 -36.76 79.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.93 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -77.29 -4.6 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.92 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.73 -36.63 79.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.926 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.082 HD22 HG11 ' A' ' 74' ' ' VAL . 12.9 mt -99.63 156.54 35.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 75.04 110.869 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.72 -177.65 1.96 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 72.42 112.352 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.4 -38.75 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 64.42 110.852 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -51.59 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.888 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.082 HG11 HD22 ' A' ' 70' ' ' LEU . 95.6 t -64.72 -40.52 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 71.3 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -69.89 -25.41 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.0 t -77.97 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.3 110.832 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.67 26.01 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.79 132.34 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 61.22 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -129.99 179.83 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.81 66.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 60.14 111.101 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -58.34 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 55.31 111.114 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -54.01 -50.36 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.02 110.837 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.48 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 62.1 111.069 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -56.61 -44.61 81.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.12 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.14 -43.91 78.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.805 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.21 -36.49 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.835 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.73 -58.22 9.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.901 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.12 59.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.31 111.099 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -114.31 73.74 2.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 74.41 110.928 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.573 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.75 -14.59 36.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 71.34 112.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.7 p -66.89 -11.06 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.1 mtp -80.14 -15.3 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.871 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.8 m -60.99 165.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.05 111.084 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -78.6 165.08 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.847 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.518 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -174.61 154.94 1.98 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.643 0.735 . . . . 73.24 110.886 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.5 Cg_endo -69.76 157.02 92.5 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 -1.801 . . . . 63.23 112.39 -0.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.447 HG11 HD11 ' A' ' 105' ' ' LEU . 97.0 t -120.81 135.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.51 124.19 51.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 64.2 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -108.22 130.33 55.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.988 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -160.48 116.39 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.49 49.87 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.808 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 60.84 21.81 59.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 31.54 112.53 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -113.14 124.57 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 41.15 110.89 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.447 HD11 HG11 ' A' ' 98' ' ' VAL . 5.2 tp -100.73 126.81 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.897 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttm -121.26 140.17 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.891 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.3 142.15 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 75.01 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.47 169.55 14.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 74.34 112.5 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -141.78 155.06 45.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 74.21 110.889 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -53.98 160.69 2.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.514 0.673 . . . . 73.41 110.917 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.59 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.612 2.208 . . . . 72.25 112.412 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.34 82.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.15 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -70.66 -47.66 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 63.54 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.48 -42.43 78.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.906 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.64 -46.8 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.78 -48.25 81.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.038 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -47.22 71.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 72.22 110.948 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -59.23 -26.39 64.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.25 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -85.61 124.1 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.874 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.941 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.437 0.465 . . . . 53.12 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -171.74 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 61.23 112.315 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.44 118.51 4.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 62.35 112.413 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -89.49 -34.17 16.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 72.23 110.88 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ttm 53.72 55.03 9.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -121.28 162.74 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.867 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.7 t -104.98 144.17 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 54.24 111.153 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.5 m -106.51 127.46 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 55.12 111.082 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.81 137.57 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 62.44 111.131 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.9 157.97 17.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 60.44 110.858 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.06 -161.58 25.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.441 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.4 pt -140.65 176.57 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 72.24 111.091 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -80.58 -54.82 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -74.56 74.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 43.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -157.07 157.36 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.842 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.39 -29.17 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 54.43 110.852 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -43.09 97.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.081 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 82.5 mmm -51.93 -36.41 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.807 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -61.48 -51.39 68.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 54.5 110.813 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -60.19 -46.88 88.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.62 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 53.12 111.052 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -58.98 -48.97 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.51 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.5 -37.04 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 74.45 111.092 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -66.72 -55.9 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.4 mm? -59.85 -41.55 91.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 70.24 110.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.99 -41.2 82.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.889 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.08 -45.92 92.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.885 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.74 -17.06 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.827 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.29 16.29 27.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 61.3 112.478 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.3 mt -107.35 148.35 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 111.129 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -116.26 124.23 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.933 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.7 m-85 -113.6 156.4 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.01 110.896 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.47 107.15 17.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 70.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.14 116.49 17.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.829 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.12 123.77 40.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.35 126.63 46.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CD1' HD23 ' A' ' 42' ' ' LEU . 35.9 m-85 -60.13 -37.4 79.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.947 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -74.29 -58.14 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -54.33 -47.44 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.894 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -68.85 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.13 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.47 98.25 1.27 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.855 -0.688 . . . . 54.13 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -80.53 126.85 31.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.837 0.351 . . . . 61.22 110.958 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.55 ' N ' HD13 ' A' ' 42' ' ' LEU . 15.9 t0 -118.3 176.19 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 53.01 110.898 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 88' ' ' LEU . . . -61.0 -46.89 88.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 54.41 111.044 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.98 -48.54 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 65.44 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.667 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -64.1 -51.35 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.113 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 87' ' ' MET . 0.6 OUTLIER -53.29 -51.34 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.961 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.82 -49.41 77.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.5 110.823 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -59.42 -30.59 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.52 110.899 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CE2' HG22 ' A' ' 46' ' ' THR . 10.9 m-85 -73.29 -48.61 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -64.02 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.24 110.865 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -66.17 -24.42 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.892 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 103' ' ' GLY . 18.1 m -96.16 -32.43 12.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.11 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.669 ' HB ' HD12 ' A' ' 59' ' ' LEU . 57.5 t -133.55 133.34 22.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 51.22 111.13 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.73 137.1 34.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.731 2.287 . . . . 74.41 112.386 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 51' ' ' LEU . 63.7 p-90 -52.47 -29.57 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.968 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -56.25 -34.24 66.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.85 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -123.06 28.82 7.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 73.33 110.889 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 54' ' ' VAL . 2.3 tt -114.25 -24.73 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.933 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 61' ' ' ASN . 3.0 pp -116.62 149.76 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.951 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.57 143.82 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.936 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -45.67 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.94 29.56 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 40.23 111.106 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.62 148.08 18.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.493 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.3 p -51.56 -31.74 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 74.54 111.199 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -38.25 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.198 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.12 -34.57 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 75.02 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -76.34 -5.32 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -60.59 -28.32 68.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.87 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.546 HD12 HG11 ' A' ' 74' ' ' VAL . 4.6 mm? -91.31 159.0 40.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 75.04 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.84 178.94 4.11 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.641 2.228 . . . . 72.42 112.43 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -71.23 -30.13 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 64.42 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.23 -46.53 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.843 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG11 HD12 ' A' ' 70' ' ' LEU . 83.7 t -72.37 -37.0 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 71.3 111.123 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -69.76 -25.44 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -96.2 -24.85 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.906 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -97.0 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 63.33 110.872 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.43 130.95 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 61.22 111.168 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -178.97 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.864 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.96 -56.89 11.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 60.14 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.33 -56.6 12.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.083 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -47.59 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.02 110.819 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.46 -54.36 27.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.1 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -57.35 -46.92 82.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.798 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.96 -44.86 91.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.916 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.15 -54.32 48.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.585 ' HB3' HD21 ' A' ' 47' ' ' LEU . 30.2 mmt -59.09 -32.79 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 72.4 110.876 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.1 tp -65.83 -48.09 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.41 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.111 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 82.16 54.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.75 -5.35 16.0 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.726 2.284 . . . . 71.34 112.33 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -63.93 -14.18 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.814 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -17.77 53.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.899 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 91' ' ' PRO . 85.3 t -55.6 138.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.125 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -51.53 168.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -172.88 154.98 2.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.723 . . . . 73.24 110.889 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.1 Cg_endo -69.73 164.91 77.93 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 -1.798 . . . . 63.23 112.373 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.43 132.18 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.172 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -116.05 130.34 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 64.2 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -105.01 135.44 46.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 64.22 110.891 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -160.97 125.64 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.866 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t70 55.78 27.8 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' HG21 ' A' ' 53' ' ' THR . . . 80.04 18.07 73.06 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.804 -0.713 . . . . 31.54 112.572 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -119.41 139.7 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 41.15 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.84 144.11 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.975 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 57.2 tpp -131.34 143.98 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.08 137.56 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.01 111.167 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.46 171.1 11.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 74.34 112.446 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -135.27 155.99 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 74.21 110.887 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -52.98 160.46 1.5 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.541 0.686 . . . . 73.41 110.916 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 72.25 112.331 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.23 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.34 -47.66 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 63.54 110.918 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.8 -42.78 80.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.944 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.42 41.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 54.12 110.879 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.02 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.043 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -81.47 -39.85 24.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 72.22 110.928 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.01 -35.06 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 73.25 110.89 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.03 128.12 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.92 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 121.448 0.471 . . . . 53.12 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -171.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 61.23 112.37 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.71 62.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.716 . . . . 62.35 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -83.3 -50.56 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 72.23 110.82 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.1 ttm 56.05 66.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 62.03 110.839 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -81.35 139.36 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.835 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 96.5 t -106.1 134.83 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 54.24 111.096 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -108.12 127.37 53.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 55.12 111.188 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -114.71 137.48 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 62.44 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.07 139.22 47.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 60.44 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.94 -166.77 16.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 61.14 112.459 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.67 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.3 pt -130.16 176.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 72.24 111.131 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -95.88 -25.45 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.899 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.4 59.13 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 43.33 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB2' HD11 ' A' ' 12' ' ' ILE . 9.9 t -155.49 156.46 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.11 110.895 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -32.85 6.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 54.43 110.88 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -51.82 -29.77 20.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.152 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 mtp -55.49 -45.16 77.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 54.5 110.947 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -62.66 -45.55 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.905 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -47.64 81.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 53.12 111.084 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.79 -49.08 77.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 70.51 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mt -58.11 -36.41 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.45 111.061 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.9 -55.63 12.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.894 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.13 -43.25 95.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 70.24 110.966 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -43.27 90.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.849 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.83 -43.58 98.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.954 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -65.67 -16.94 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.795 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.82 12.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 61.3 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -107.33 142.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.32 111.15 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -91.38 107.93 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.825 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.626 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.2 m-85 -117.96 130.1 56.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 70.01 110.95 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -85.49 114.39 22.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 70.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.16 117.66 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.4 110.913 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.04 123.05 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.07 140.89 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.67 ' CD1' HG22 ' A' ' 12' ' ' ILE . 30.4 p90 -51.73 -32.91 32.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.989 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -85.68 -46.37 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 74.3 110.874 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -54.11 -47.44 71.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.304 -0.407 . . . . 74.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.44 -25.22 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.13 110.883 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 97.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 54.13 112.442 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.94 110.16 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 61.22 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.48 176.37 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.914 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -55.65 -42.71 75.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 54.41 111.02 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.08 -51.41 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 65.44 110.874 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -62.01 -51.28 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 73.34 111.147 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.5 OUTLIER -54.8 -46.47 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 72.53 110.91 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -59.71 -51.9 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -56.99 -37.09 71.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CD1' HD22 ' A' ' 105' ' ' LEU . 18.1 m-85 -73.38 -31.61 64.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -52.56 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -58.15 -26.88 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.917 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.5 m -88.33 -30.35 19.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.207 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 59' ' ' LEU . 58.7 t -148.59 133.24 8.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.713 . . . . 51.22 111.149 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.433 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.76 139.16 39.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 74.41 112.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -52.8 -29.71 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 72.32 110.907 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -53.25 -32.52 48.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.885 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -120.64 25.69 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 54' ' ' VAL . 7.3 tp -116.99 -28.2 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 61.44 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -116.45 149.52 39.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.907 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -52.04 143.07 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.887 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -106.45 -56.61 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.907 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.68 25.88 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 40.23 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.39 162.42 26.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 64.14 112.433 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.8 p -64.77 -34.13 77.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 74.54 111.132 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -41.41 65.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.01 111.169 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.07 -35.36 59.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -73.65 -12.7 60.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.98 72.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 74' ' ' VAL . 7.8 mp -86.08 157.91 56.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 75.04 110.891 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 179.38 3.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.649 2.232 . . . . 72.42 112.327 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -71.36 -38.13 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.9 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.41 -51.69 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.846 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.724 HG12 HD23 ' A' ' 70' ' ' LEU . 76.5 t -65.64 -30.61 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.072 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -74.79 -25.55 59.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -94.17 -24.99 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.3 110.881 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.13 36.57 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 63.33 110.851 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 ' OG ' ' A' ' 82' ' ' SER . 11.5 p -101.36 130.62 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 61.22 111.177 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.33 -178.48 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.874 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.21 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.14 111.126 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.74 -58.38 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 55.31 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.82 -52.1 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.863 -179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.18 -50.62 58.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 62.1 111.084 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -60.79 -35.43 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.41 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.29 -44.04 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 82' ' ' SER . 4.2 mm? -61.41 -45.7 93.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 74.11 110.928 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.514 ' CB ' HD21 ' A' ' 47' ' ' LEU . 36.7 mmt -72.48 -32.97 66.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.894 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 44' ' ' ALA . 7.4 tt -62.11 -58.43 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.92 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.453 ' N ' HD23 ' A' ' 88' ' ' LEU . . . -75.05 -46.09 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 72.31 111.043 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.39 75.92 2.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 74.41 110.893 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.83 -8.29 23.23 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 71.34 112.354 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 t -63.49 -16.39 60.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 60.53 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -19.41 46.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.943 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 91' ' ' PRO . 42.5 t -60.46 148.92 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 75.05 111.116 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -67.99 122.33 17.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 64.41 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.52 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 7.7 mmm180 -123.36 157.39 61.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 73.24 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.2 Cg_endo -69.74 176.68 31.55 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.793 . . . . 63.23 112.378 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.427 HG13 ' HG ' ' A' ' 105' ' ' LEU . 95.2 t -129.28 134.7 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.66 121.75 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.2 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.82 123.48 50.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -171.67 141.6 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.762 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 53.76 35.86 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.877 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.0 17.11 50.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 31.54 112.45 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -119.66 125.62 49.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.344 . . . . 41.15 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 50' ' ' PHE . 8.0 tp -96.7 135.81 38.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.969 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.4 tpp -126.78 145.66 50.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.87 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.93 140.29 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.01 111.091 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.4 131.57 44.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 74.34 112.491 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.96 156.12 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 74.21 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -51.9 159.09 1.47 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.581 0.705 . . . . 73.41 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -48.63 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.628 2.219 . . . . 72.25 112.39 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.38 78.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.114 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.87 -48.04 40.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 63.54 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.38 -43.29 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.929 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.56 -50.49 36.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 54.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.24 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 72.23 111.177 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.68 -38.61 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 72.22 110.956 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -96.4 30.21 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 175.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.896 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 62.42 110.886 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 121.479 0.488 . . . . 53.12 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 167.31 24.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 61.23 112.291 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.67 100.61 2.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 62.35 112.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -85.41 -48.12 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 72.23 110.853 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.7 mtt -84.01 146.36 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.03 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -133.04 167.76 19.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.851 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 32' ' ' TYR . 52.9 t -120.05 142.34 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 54.24 111.106 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' HB ' ' A' ' 33' ' ' THR . 94.7 m -120.4 135.03 55.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 55.12 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 tt -114.78 137.48 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 62.44 111.127 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -113.35 143.88 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 60.44 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.37 -152.27 12.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 61.14 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.761 HG22 ' CD1' ' A' ' 37' ' ' TYR . 41.8 pt -129.04 176.29 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 72.24 111.14 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.44 31.42 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.928 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.43 25.92 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 43.33 110.865 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.9 p -127.04 -174.04 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.905 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.16 -31.44 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 54.43 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -55.06 -54.59 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 64.53 111.142 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mmm -51.93 -40.44 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -56.12 -51.52 67.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 54.5 110.89 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -61.2 -46.79 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 53.12 111.059 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.95 -48.94 78.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 70.51 110.945 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.5 mt -60.36 -35.98 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.45 111.121 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.76 -55.9 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.93 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 30' ' ' ILE . 4.5 mm? -58.56 -46.09 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.922 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.81 -49.35 75.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.22 110.925 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.22 -46.12 72.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.918 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.57 -16.98 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.04 41.74 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 61.3 112.506 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 25' ' ' LEU . 21.6 mm -104.09 152.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 74.32 111.111 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.57 96.4 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.874 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CZ ' HG11 ' A' ' 7' ' ' VAL . 2.4 m-85 -116.55 130.86 56.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.01 110.863 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.583 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.6 OUTLIER -87.56 118.79 27.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 70.0 111.138 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -77.05 111.19 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.847 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.99 114.34 22.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 73.35 110.817 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.05 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.42 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CD1' HG22 ' A' ' 12' ' ' ILE . 7.5 p90 -51.93 -32.35 32.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.924 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -86.96 -47.05 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -54.18 -46.71 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 74.4 110.89 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -82.88 -51.25 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.6 171.26 25.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 54.13 112.496 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -141.23 134.0 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 61.22 110.869 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HD13 ' A' ' 42' ' ' LEU . 4.9 m-20 -124.75 162.34 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 53.01 110.918 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.02 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.135 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.86 -51.21 70.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.617 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -65.3 -51.23 62.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 73.34 111.126 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 87' ' ' MET . 0.4 OUTLIER -54.67 -50.06 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.883 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.03 -52.54 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.5 110.833 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.9 -32.13 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.89 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.691 ' CE1' HD22 ' A' ' 105' ' ' LEU . 4.1 m-85 -71.9 -41.68 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.853 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.83 -38.79 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 70.24 110.845 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.46 -50.57 36.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.932 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 m -67.66 -27.22 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.2 t -148.5 133.33 9.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 51.22 111.066 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.1 Cg_endo -69.71 144.27 53.74 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.68 2.254 . . . . 74.41 112.336 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -52.6 -30.78 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.96 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.7 -31.7 48.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -119.69 26.37 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 73.33 110.966 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.66 -21.86 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 61.44 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.1 pp -123.23 147.82 46.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.933 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.625 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -51.0 143.98 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.852 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.74 -36.34 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.854 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.96 -23.18 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 40.23 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.87 150.22 9.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 64.14 112.525 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.0 p -52.64 -32.55 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 74.54 111.163 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -39.03 62.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.159 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -77.87 -35.65 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.74 -4.38 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.836 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 70' ' ' LEU . 24.6 tttp -60.19 -23.33 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.931 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD23 HG12 ' A' ' 74' ' ' VAL . 6.1 mp -119.35 155.6 53.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 75.04 110.978 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.3 Cg_endo -69.71 155.78 65.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 72.42 112.363 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.4 -32.29 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.42 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.44 -51.63 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.851 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.648 HG12 HD23 ' A' ' 70' ' ' LEU . 55.6 t -67.7 -30.71 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.167 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 78' ' ' VAL . 19.3 mmm180 -73.82 -35.62 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.2 110.869 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -66.05 -14.64 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.905 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -78.68 -15.23 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 63.33 110.943 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 75' ' ' ARG . 12.2 p -51.86 134.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -141.41 -179.02 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.02 110.799 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.53 -65.26 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 60.14 111.109 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.57 -53.55 44.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 55.31 111.12 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m -53.85 -51.09 64.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.8 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -51.44 -53.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.1 111.131 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -54.41 -46.53 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.896 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 83' ' ' ALA . 12.5 mt -59.09 -50.02 75.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.943 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.708 ' HB2' HD21 ' A' ' 47' ' ' LEU . 35.1 mmt -66.53 -32.61 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.949 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.27 -48.42 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.31 111.135 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -125.32 78.73 67.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 74.41 110.839 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.4 Cg_endo -69.76 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 71.34 112.347 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.681 ' OG ' HG21 ' A' ' 12' ' ' ILE . 6.5 t -66.64 -11.04 51.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 60.53 110.868 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -16.06 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 71.33 110.853 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 91' ' ' PRO . 23.8 m -56.67 165.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.05 111.094 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.647 ' HD3' HG22 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -65.46 173.9 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 64.41 110.901 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 9.3 ptt85 -179.74 159.31 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 73.24 110.811 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.76 140.6 61.53 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 -1.794 . . . . 63.23 112.326 -0.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 95' ' ' LYS . 84.9 t -95.39 126.77 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.126 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.43 122.65 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.2 110.938 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.663 ' HG3' HD12 ' A' ' 105' ' ' LEU . 3.4 tt0 -107.51 143.14 36.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.832 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -150.31 110.33 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 74.21 110.867 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t0 59.45 28.01 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.869 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.04 -37.42 3.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 31.54 112.466 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -65.99 132.88 49.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 41.15 110.862 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -103.9 141.09 36.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.959 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.8 ttm -134.8 153.59 51.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.848 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.639 HG12 ' HG3' ' A' ' 95' ' ' LYS . 19.9 m -91.75 135.36 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.01 111.197 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.38 178.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -141.2 155.79 46.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.984 0.421 . . . . 74.21 110.885 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.47 159.21 1.71 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.628 0.727 . . . . 73.41 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 72.25 112.36 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 74.33 111.12 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -70.25 -48.2 57.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.54 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.51 -42.67 74.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.48 -46.82 63.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.35 89.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.104 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -35.96 67.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.899 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -96.56 30.42 2.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.968 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -92.33 137.21 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 73.12 110.919 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 62.42 110.914 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.485 0.491 . . . . 53.12 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.08 26.95 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.704 2.269 . . . . 61.23 112.384 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.59 76.42 0.15 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.758 -0.734 . . . . 62.35 112.465 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -70.98 -56.29 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.23 110.868 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.6 mmt -141.33 166.94 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 62.03 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -145.08 178.48 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 t -130.54 139.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 54.24 111.134 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.77 138.65 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 55.12 111.194 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 33' ' ' THR . 10.5 tt -114.71 138.54 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.44 111.066 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -111.0 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 60.44 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.55 -155.48 7.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 61.14 112.449 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 pt -137.18 176.47 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 72.24 111.186 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -92.14 -25.62 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.893 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -99.35 68.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 43.33 110.872 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 t -156.95 112.39 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 62.11 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.58 -46.12 87.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 54.43 110.9 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -51.54 -44.81 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.53 111.154 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.5 mmm -52.94 -45.21 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.818 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -51.79 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 54.5 110.937 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -59.82 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.92 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -58.96 -47.99 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.096 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -49.09 79.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.51 110.852 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.73 -34.67 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.45 111.136 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -41.15 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 30' ' ' ILE . 4.2 mm? -70.08 -50.44 40.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.969 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.4 -35.48 79.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.908 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -69.03 -46.77 67.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 72.41 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -66.22 -16.01 63.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 71.45 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.64 41.22 11.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 61.3 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.588 HD12 HD13 ' A' ' 25' ' ' LEU . 86.1 mt -102.87 139.33 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 74.32 111.159 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -81.12 130.23 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.882 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -173.29 135.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 70.01 110.939 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 9' ' ' ILE . 94.9 m -91.5 135.12 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -83.05 110.1 17.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.829 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -116.71 123.71 47.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.927 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.06 149.16 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 70.42 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.542 ' HD1' HD23 ' A' ' 42' ' ' LEU . 14.6 m-85 -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -77.13 -49.53 15.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -47.53 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 74.4 110.857 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -81.38 -26.01 35.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.49 139.29 9.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 54.13 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -123.19 117.57 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.333 . . . . 61.22 110.899 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 165.92 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 53.01 110.892 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 88' ' ' LEU . . . -52.58 -41.51 63.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 54.41 111.065 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.52 -50.62 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.44 110.875 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.52 -48.86 73.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.179 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -50.29 68.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 72.53 110.869 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.9 -43.93 97.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 70.5 110.874 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -55.13 -46.57 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.918 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 105' ' ' LEU . 29.8 m-85 -72.43 -31.66 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.863 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -66.24 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.877 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -68.58 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.879 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 m -80.18 -27.42 38.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.148 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.613 ' HB ' HD13 ' A' ' 59' ' ' LEU . 59.7 t -145.55 133.23 10.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 51.22 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 54' ' ' VAL . 54.3 Cg_endo -69.68 146.06 59.53 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.736 2.291 . . . . 74.41 112.411 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.668 ' O ' HD23 ' A' ' 60' ' ' LEU . 58.5 p-90 -52.33 -42.1 63.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 72.32 110.877 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -52.0 -30.1 23.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -117.66 26.79 9.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.92 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD13 ' HB ' ' A' ' 54' ' ' VAL . 12.2 tp -132.89 13.46 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 61.44 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -150.34 147.05 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.874 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -51.75 141.75 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.929 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 -47.17 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.825 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.97 -19.41 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 40.23 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.41 152.93 6.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 64.14 112.46 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -58.83 -31.86 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 74.54 111.12 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -48.74 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.01 111.159 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -70.04 -34.71 73.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.877 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -76.93 -5.11 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 73.52 110.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.91 -39.37 89.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD12 HG11 ' A' ' 74' ' ' VAL . 4.5 mm? -91.9 158.91 39.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 75.04 110.893 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HG2' HG23 ' A' ' 74' ' ' VAL . 53.6 Cg_endo -69.75 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 72.42 112.337 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -71.49 -34.26 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 64.42 110.79 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -66.32 -51.69 54.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.851 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 71' ' ' PRO . 77.0 t -61.67 -35.96 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 71.3 111.136 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -78.31 -24.73 46.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 70.2 110.846 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.9 t -86.65 -24.06 25.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.815 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.51 24.65 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.849 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.8 t -82.8 135.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 61.22 111.109 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.54 178.32 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.873 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 60.14 111.096 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.09 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 55.31 111.125 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -40.85 68.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.852 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 62.1 111.053 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -41.47 96.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.914 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.34 -46.7 75.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.951 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.15 -48.83 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.938 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.86 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.5 tt -64.83 -58.09 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 71.42 110.955 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -25.49 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 72.31 111.116 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -133.26 74.04 73.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 74.41 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 71.34 112.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p -58.56 -22.4 55.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 60.53 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.63 -19.38 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.925 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.01 139.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.05 111.114 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 159.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 64.41 110.89 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.53 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -173.67 154.34 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.24 110.855 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.0 Cg_endo -69.7 166.17 74.58 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 63.23 112.345 -0.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -129.15 128.53 67.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 75.11 111.075 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.2 mp -111.86 119.9 40.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 64.2 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.58 138.11 39.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.926 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -174.85 141.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 74.21 110.886 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 t0 55.01 36.76 27.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.813 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.55 16.04 54.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 31.54 112.53 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -119.67 138.91 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 41.15 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 50' ' ' PHE . 10.2 tp -97.63 130.1 44.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.941 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 38.5 tpp -113.29 142.95 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.5 m -91.65 139.7 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.01 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.35 129.96 40.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.497 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.51 142.0 28.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 74.21 110.862 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.48 159.25 1.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 73.41 110.865 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.591 2.194 . . . . 72.25 112.343 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.78 79.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.1 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.62 -48.64 37.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.54 110.918 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.67 -43.32 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.906 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.35 -50.66 36.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 54.12 110.868 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.75 66.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.106 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -81.07 -44.76 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -35.65 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 73.25 110.9 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -67.83 162.17 24.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.919 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 121.433 0.463 . . . . 53.12 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 165.14 32.08 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.692 2.261 . . . . 61.23 112.33 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.21 77.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 62.35 112.524 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 m -70.68 -52.3 22.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 72.23 110.893 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 mtm -98.76 176.03 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 62.03 110.89 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -124.91 124.09 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.916 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.13 136.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 54.24 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.21 136.57 49.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.12 111.064 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 33' ' ' THR . 11.0 tt -114.81 139.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.106 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.63 120.56 41.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 60.44 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.74 -167.79 15.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 61.14 112.488 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 37' ' ' TYR . 24.9 pt -123.75 176.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 72.24 111.172 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -96.95 -25.91 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.881 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.98 63.73 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.901 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HB2' HD11 ' A' ' 12' ' ' ILE . 46.2 t -157.0 145.28 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.881 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.04 -40.0 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.836 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -51.65 -40.32 59.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 64.53 111.134 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -32.56 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 72.34 110.835 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.71 -51.56 61.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 54.5 110.953 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -60.77 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.32 110.831 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.47 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 53.12 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -63.14 -49.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 70.51 110.908 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.5 mt -58.47 -36.51 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.45 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -68.17 -51.02 50.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.92 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.41 HD12 ' HB ' ' A' ' 30' ' ' ILE . 3.9 mm? -57.45 -48.7 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 70.24 110.925 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -66.78 -34.73 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.967 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.1 -45.75 92.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.919 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.565 ' ND1' HD11 ' A' ' 30' ' ' ILE . 15.7 t-160 -76.4 -16.8 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 71.45 110.824 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 48.75 6.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 61.3 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.565 HD11 ' ND1' ' A' ' 28' ' ' HIS . 50.0 mm -94.75 144.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.852 0.358 . . . . 74.32 111.133 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.93 102.04 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.845 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -149.48 141.74 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 70.01 110.88 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 9' ' ' ILE . 27.9 m -96.91 138.04 35.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 70.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -86.2 115.56 23.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.02 123.83 45.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.848 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -89.73 146.03 24.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.887 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CD1' HG22 ' A' ' 12' ' ' ILE . 20.8 p90 -51.95 -33.92 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.904 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -86.48 -46.44 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.939 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -54.34 -29.46 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.888 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.47 -26.66 18.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.818 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.47 98.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.463 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -83.88 111.21 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 61.22 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -102.01 177.29 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 53.01 110.888 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.52 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 54.41 111.106 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.5 -51.11 66.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.932 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -58.51 -49.2 78.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 73.34 111.178 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 87' ' ' MET . 0.2 OUTLIER -54.61 -45.16 73.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.93 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.49 -51.19 69.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 70.5 110.873 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -57.62 -36.31 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.916 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 46' ' ' THR . 7.7 m-85 -73.33 -34.76 65.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.4 -40.74 81.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.89 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -69.27 -47.96 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 72.22 110.906 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 m -68.32 -32.5 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 72.44 111.128 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.6 t -142.73 133.28 12.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 51.22 111.148 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.4 Cg_endo -69.76 141.02 44.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.764 2.309 . . . . 74.41 112.355 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -55.28 -27.49 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.24 -33.66 67.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -116.76 26.0 10.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 tp -117.66 -30.15 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 61.44 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.4 pp -120.2 136.99 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.44 110.888 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.685 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -51.18 144.51 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 71.33 110.88 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -47.81 2.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.854 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.42 26.74 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 40.23 111.055 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.86 152.94 17.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 64.14 112.445 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -52.05 -32.37 34.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.906 0.384 . . . . 74.54 111.084 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -51.25 62.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 75.01 111.168 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -72.44 -34.86 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -67.02 -14.62 63.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.76 -25.29 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.745 HD23 HG12 ' A' ' 74' ' ' VAL . 7.7 mp -81.62 158.27 68.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 75.04 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 176.31 6.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 72.42 112.391 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.58 -38.21 80.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.2 -51.63 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.745 HG12 HD23 ' A' ' 70' ' ' LEU . 74.9 t -67.05 -30.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 71.3 111.132 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -69.92 -26.22 64.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -98.91 -22.9 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.869 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.65 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 63.33 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.0 p -92.52 131.1 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.15 -172.0 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.815 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.42 4.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 60.14 111.098 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.04 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 55.31 111.112 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.15 -50.46 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 73.02 110.811 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.55 -47.84 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.1 111.042 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.42 90.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.828 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.71 -48.06 78.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 75.34 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.05 -53.84 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.952 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.502 ' CB ' HD21 ' A' ' 47' ' ' LEU . 28.3 mmt -64.38 -32.66 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.938 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.47 -47.57 85.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.09 16.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 72.31 111.064 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.01 75.05 38.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 74.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.73 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 71.34 112.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -66.81 -11.22 54.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 60.53 110.808 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 mtp -80.0 -15.59 56.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.896 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 91' ' ' PRO . 16.4 m -60.94 148.64 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 75.05 111.145 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -52.55 169.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.905 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -177.79 158.87 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 73.24 110.903 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.8 Cg_endo -69.71 148.24 86.21 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 -1.774 . . . . 63.23 112.329 0.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.6 t -110.82 129.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.11 111.164 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.18 127.45 55.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.2 110.907 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.89 128.52 54.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -142.95 112.06 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.849 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.07 27.2 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.866 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.68 -23.93 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.513 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -73.93 125.13 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 41.15 110.852 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.9 tp -99.34 128.68 45.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.3 ptp -126.14 147.91 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.921 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.48 145.66 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.01 111.137 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.52 168.35 17.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 74.34 112.484 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -132.71 155.6 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 74.21 110.854 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -52.83 160.67 1.38 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 73.41 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 72.25 112.323 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.49 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -49.05 51.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 63.54 110.893 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.84 -42.7 72.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.918 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -50.35 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 54.12 110.828 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.48 -27.4 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.123 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -82.55 -54.59 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.981 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.78 -26.77 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.961 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -66.31 146.78 54.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 73.12 110.928 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.42 110.924 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 121.366 0.425 . . . . 53.12 112.528 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -46.12 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 61.23 112.334 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.92 -167.27 27.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 62.35 112.452 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -88.62 -43.79 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 72.23 110.827 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.15 158.14 44.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 62.03 110.826 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -144.68 126.94 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.84 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.4 148.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 54.24 111.141 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.639 HG23 ' HB ' ' A' ' 33' ' ' THR . 6.7 m -118.33 130.14 55.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 55.12 111.162 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 tt -115.4 137.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 62.44 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -119.14 135.43 54.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 60.44 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.62 -163.37 25.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 61.14 112.568 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.805 HG22 ' CD1' ' A' ' 37' ' ' TYR . 30.4 pt -111.81 172.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.918 0.39 . . . . 72.24 111.14 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -98.76 165.17 11.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.898 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 56.73 42.24 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 43.33 110.938 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 t -123.12 128.22 49.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 62.11 110.89 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.22 -51.25 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 54.43 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -51.84 -55.67 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 64.53 111.136 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mmm -51.94 -48.39 64.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.92 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -52.56 -51.42 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 54.5 110.927 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -57.91 -44.88 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.931 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.65 68.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 53.12 111.093 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -56.91 -49.07 76.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.867 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.69 -34.43 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.141 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -55.89 12.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' CE1' ' A' ' 32' ' ' TYR . 4.6 mm? -58.26 -41.28 83.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 70.24 110.927 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.929 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.95 -45.79 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 72.41 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -62.86 -17.02 60.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 71.45 110.823 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.91 18.04 21.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 61.3 112.434 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mt -107.45 147.8 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 74.32 111.133 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -109.07 120.51 42.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.89 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE1' HD12 ' A' ' 25' ' ' LEU . 2.6 m-85 -114.32 143.99 43.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.928 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.639 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -82.91 112.73 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 70.0 111.117 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -77.37 117.81 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.835 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -119.52 123.91 45.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.855 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.2 129.51 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.805 ' CD1' HG22 ' A' ' 12' ' ' ILE . 15.4 p90 -51.19 -36.91 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 74.45 110.895 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -79.41 -48.81 13.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.844 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -47.37 71.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.924 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -39.57 86.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.881 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.47 96.07 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.13 112.475 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.593 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -63.7 131.26 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.32 . . . . 61.22 110.897 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' HD13 ' A' ' 42' ' ' LEU . 7.8 m-20 -114.31 153.44 29.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 53.01 110.874 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.68 -49.17 62.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 54.41 111.057 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.46 -50.95 64.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.919 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.591 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -56.73 -48.1 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.34 111.112 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -54.63 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.947 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -53.06 -52.64 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 70.5 110.796 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -56.92 -34.76 68.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.836 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CE1' HD22 ' A' ' 105' ' ' LEU . 8.5 m-85 -73.37 -33.34 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 71.14 110.876 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.48 -38.98 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.879 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -67.07 -28.53 68.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -91.72 -28.04 17.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.105 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 55' ' ' PRO . 58.7 t -138.31 133.34 17.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 51.22 111.1 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.1 Cg_endo -69.85 141.45 44.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 74.41 112.386 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -52.2 -41.65 62.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.09 -29.4 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -116.22 25.14 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.95 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.02 -24.64 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -119.53 149.39 41.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.972 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -50.97 143.77 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.886 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -115.99 -31.52 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.92 -23.27 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 40.23 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 151.73 26.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 64.14 112.483 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.6 p -52.74 -33.62 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 74.54 111.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.13 62.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.01 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -78.1 -34.85 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -78.33 -4.33 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.52 110.885 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 70' ' ' LEU . 23.7 mmtt -60.23 -23.16 63.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.67 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.3 mp -120.66 155.69 56.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 75.04 110.943 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 74' ' ' VAL . 54.1 Cg_endo -69.81 156.24 63.73 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 72.42 112.341 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.49 -34.58 36.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -64.98 -51.69 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.819 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.67 ' CG1' HD23 ' A' ' 70' ' ' LEU . 53.7 t -67.53 -33.95 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 71.3 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -70.33 -27.54 64.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 70.2 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -15.96 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.833 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -78.95 -3.19 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 63.33 110.884 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 p -61.03 131.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 61.22 111.193 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.18 -178.91 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.88 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.09 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 60.14 111.136 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.26 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 55.31 111.072 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -51.95 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.816 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.14 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.1 111.078 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.09 -39.31 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.811 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.3 -43.92 80.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.878 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.45 -49.67 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.56 -32.34 73.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 88' ' ' LEU . 9.5 tt -65.87 -47.13 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 71.42 110.873 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.32 -48.28 20.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.068 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -124.64 79.91 62.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 74.41 110.931 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.75 -7.53 21.3 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.747 2.298 . . . . 71.34 112.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -18.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.53 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -19.43 45.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.869 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.657 HG12 ' HD2' ' A' ' 95' ' ' LYS . 84.1 t -54.68 145.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 75.05 111.149 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.657 ' HD2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.01 171.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.877 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -174.71 159.53 2.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 73.24 110.893 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 53.3 Cg_endo -69.83 143.31 73.64 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.729 -1.78 . . . . 63.23 112.324 0.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 105' ' ' LEU . 85.1 t -93.72 125.78 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.141 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.1 mp -110.83 122.77 48.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.54 130.14 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.9 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -152.07 122.69 7.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.66 27.43 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.864 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.91 -39.47 2.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 31.54 112.456 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -67.66 135.13 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 41.15 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.702 HD22 ' CE1' ' A' ' 50' ' ' PHE . 7.9 tp -100.02 154.16 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.969 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mmm -136.95 145.09 43.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.837 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.55 HG13 ' CG ' ' A' ' 95' ' ' LYS . 39.4 t -91.82 125.55 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.21 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.41 139.2 45.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 74.34 112.46 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.9 156.04 17.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 74.21 110.854 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -51.75 160.84 0.99 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 73.41 110.862 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -48.48 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.28 . . . . 72.25 112.323 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.64 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.096 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.17 -48.9 39.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 63.54 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.09 -42.9 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.912 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.6 -50.43 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 54.12 110.853 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.35 -25.07 65.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.23 111.056 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -81.86 -56.55 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.957 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -62.37 -26.96 68.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 73.25 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -63.55 172.98 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.857 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 62.42 110.944 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.426 0.459 . . . . 53.12 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.99 7.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 61.23 112.339 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.0 60.6 4.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 62.35 112.476 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -55.1 -61.32 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 72.23 110.848 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 ptm -126.3 153.27 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 62.03 110.873 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -108.33 131.52 54.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.915 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.8 t -87.15 144.39 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 54.24 111.109 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -105.07 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 55.12 111.157 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -114.84 137.67 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 62.44 111.096 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -108.36 153.19 23.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 60.44 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.78 -169.57 36.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.14 112.459 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.414 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -123.14 176.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 72.24 111.142 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.64 -25.91 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -103.34 70.1 1.04 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 43.33 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -156.95 141.94 17.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.901 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -89.62 -36.19 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.81 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -51.87 -44.27 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 64.53 111.09 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.1 mmm -52.26 -38.14 57.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.88 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.5 -51.48 69.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 54.5 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -61.25 -48.96 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 71.32 110.863 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 53.12 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -61.28 -48.17 82.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 70.51 110.88 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -58.13 -36.63 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 74.45 111.138 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -68.25 -55.85 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.75 -38.66 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -70.52 -49.11 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.99 -44.9 74.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.814 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -62.72 -17.03 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 27.77 12.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 61.3 112.457 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.0 mt -107.4 150.23 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 74.32 111.133 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -118.97 112.13 19.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.778 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.2 151.73 30.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 70.01 110.883 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -82.6 111.48 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 70.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -77.31 121.08 23.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.865 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.23 123.86 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.849 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.04 136.95 33.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 70.42 110.83 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -51.72 -32.26 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.915 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -88.79 -46.65 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.948 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.26 -46.14 72.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.88 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -32.03 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.922 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.51 97.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 54.13 112.429 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -73.67 132.55 42.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.333 . . . . 61.22 110.923 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.528 ' N ' HD13 ' A' ' 42' ' ' LEU . 2.4 t70 -122.66 179.43 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 53.01 110.868 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.95 65.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.41 111.129 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -52.86 -51.31 61.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.31 78.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.34 111.119 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 84' ' ' ARG . 2.9 tm? -53.22 -49.86 65.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.91 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.5 -39.25 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 70.5 110.859 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -61.83 -43.52 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.692 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.3 m-85 -73.15 -34.13 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.921 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -71.21 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 70.24 110.869 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.855 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.607 HG21 ' HA ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -91.62 -32.95 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.113 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 59' ' ' LEU . 58.4 t -137.03 133.39 18.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.616 0.722 . . . . 51.22 111.153 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 54' ' ' VAL . 53.7 Cg_endo -69.8 144.48 53.93 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.661 2.241 . . . . 74.41 112.342 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HB3' HD21 ' A' ' 51' ' ' LEU . 62.9 p-90 -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.938 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.8 -27.16 59.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -123.15 22.95 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' HG12 ' A' ' 54' ' ' VAL . 21.1 tp -127.73 0.33 6.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 61.44 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 61' ' ' ASN . 1.5 pp -150.51 135.24 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.904 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -56.66 143.98 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.1 -23.39 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 73.11 110.891 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.79 30.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 40.23 111.134 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.72 169.78 15.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.709 -0.758 . . . . 64.14 112.401 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -51.58 -31.2 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.54 111.163 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 93' ' ' MET . 30.0 p -52.79 -38.15 60.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.439 . . . . 75.01 111.092 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -78.22 -34.79 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 75.02 110.852 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -79.56 -3.81 48.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.895 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -59.97 -30.06 68.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.875 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD23 ' CG1' ' A' ' 74' ' ' VAL . 6.1 mp -116.07 158.07 43.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 75.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -179.72 3.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 72.42 112.351 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -71.32 -48.31 51.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 64.42 110.891 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -53.58 -35.05 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.068 -0.514 . . . . 73.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.706 ' CG1' HD23 ' A' ' 70' ' ' LEU . 58.3 t -85.66 -46.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 71.3 111.143 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -45.15 79.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 70.2 110.872 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -21.94 59.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.865 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.42 26.08 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.33 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.2 p -77.8 129.95 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 61.22 111.085 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.23 -178.61 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 75.02 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.12 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 60.14 111.125 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.2 8.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 55.31 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -54.73 -51.67 64.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.807 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.96 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 62.1 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' HD11 ' A' ' 47' ' ' LEU . 19.0 mtm180 -52.28 -43.26 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.98 -34.21 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.62 -38.65 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.847 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.563 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.34 -43.65 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.905 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.14 -42.98 88.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.915 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -47.97 35.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 72.31 111.108 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.24 78.2 52.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 74.41 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.511 ' HA ' HG23 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.81 -7.9 22.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 71.34 112.333 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -59.4 -20.76 57.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.53 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.692 ' HB2' HG21 ' A' ' 66' ' ' THR . 15.2 ptp -86.23 -17.68 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.33 110.86 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 87' ' ' MET . 95.6 t -50.88 143.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 75.05 111.132 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -51.38 161.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.866 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.516 ' HA ' ' C ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -171.82 159.9 4.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 73.24 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 96' ' ' ARG . 54.7 Cg_endo -69.63 156.6 92.36 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 -1.793 . . . . 63.23 112.401 -0.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 105' ' ' LEU . 94.0 t -116.12 136.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.11 111.136 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.2 mp -114.45 127.36 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 64.2 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -111.68 135.58 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -163.85 123.71 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.942 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 53.23 28.8 7.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.838 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.93 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 31.54 112.455 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.607 ' HA ' HG21 ' A' ' 53' ' ' THR . 24.8 mttm -61.65 125.01 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 41.15 110.955 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 50' ' ' PHE . 7.4 tp -97.16 152.56 18.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 75.31 110.883 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 ttp -134.14 141.06 46.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.925 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -91.89 136.74 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.01 111.158 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.49 166.88 20.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.473 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -138.83 155.82 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.21 110.874 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -52.31 160.67 1.21 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 73.41 110.895 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 72.25 112.312 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.82 80.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.045 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -71.28 -48.51 50.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.54 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.66 -42.65 75.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.911 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.34 -50.46 38.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 54.12 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.09 -29.19 67.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.23 111.083 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -82.62 -38.07 24.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.992 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.78 -25.83 43.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 73.25 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -96.73 149.16 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.935 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 62.42 110.873 179.981 . . . . . . . . 0 0 . 1 stop_ save_