data_2m0y_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 2m0y _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.69 -151.32 5.43 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.03 148.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.36 113.31 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.802 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 22.2 p90 -107.0 92.24 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.016 0.436 . . . . 0.0 110.944 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.65 177.65 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -117.25 53.05 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.04 134.43 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.428 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.86 89.73 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.87 137.34 56.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.332 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -116.98 29.41 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.57 169.45 38.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.29 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.89 -36.64 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.29 -178.19 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.62 132.34 15.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -72.63 120.43 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 HD12 ' CD2' ' A' ' 60' ' ' PHE . 7.0 mt -120.84 137.45 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.77 158.18 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 11.5 mt -67.66 135.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.45 -4.78 64.52 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.724 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.31 150.21 20.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.915 0.388 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.3 m -104.41 139.84 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.346 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -129.53 138.0 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.657 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -100.28 108.43 20.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.69 128.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.601 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -112.44 -29.96 7.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.593 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -129.95 165.33 22.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.491 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 10.2 t -157.15 166.79 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -174.92 34.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.33 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 65.61 102.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.018 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 37.4 94.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.223 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.649 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.45 92.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 1.9 m-85 -119.33 159.33 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.056 0.455 . . . . 0.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 9.8 ttt180 -123.14 150.79 42.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.78 -152.86 13.68 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.629 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -154.66 145.26 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.83 148.37 49.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.6 -29.39 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -116.93 78.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -77.08 -30.33 55.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -68.16 -30.9 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 146.16 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.91 143.95 41.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.99 -179.88 40.32 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.552 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 8.0 pt -111.87 161.58 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.368 . . . . 0.0 111.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.9 p90 -157.4 149.87 17.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 12.2 Cg_exo -70.15 135.28 29.14 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -70.5 -10.13 58.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.654 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -51.01 -24.7 3.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.881 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 49.3 p90 -132.19 28.01 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.481 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.4 mm -107.97 134.94 48.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.021 0.439 . . . . 0.0 111.26 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -135.83 112.33 9.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.692 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.43 139.13 47.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.833 0.349 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.9 -165.4 10.34 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.52 148.64 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.52 116.96 21.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.3 p90 -109.28 92.4 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.433 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.55 173.39 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.966 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -113.96 49.88 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.152 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -77.11 139.5 40.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.329 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -135.04 103.84 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 137.12 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.335 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -92.46 -22.27 19.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.37 177.02 18.55 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.96 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.55 -34.64 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -173.33 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 4.5 tt -151.08 126.47 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -64.75 128.05 34.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.56 134.73 52.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.725 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.86 156.47 42.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.7 mt -69.26 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 -4.66 86.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -95.31 144.8 25.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -99.8 130.17 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.73 138.99 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.454 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -97.91 108.35 21.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.92 106.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -94.02 -31.04 14.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.7 142.32 28.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 t -144.55 -178.95 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 111.193 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -178.29 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.786 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -177.97 101.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 34.15 87.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.101 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -172.25 93.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.433 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 1.1 m-85 -119.68 146.99 45.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.013 0.435 . . . . 0.0 111.202 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 1.7 ttt180 -117.75 121.26 40.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 -163.43 9.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 49' ' ' TYR . 24.1 p90 -138.83 131.49 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.18 157.26 31.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.45 -30.64 71.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.7 mmt-85 -67.95 -52.75 32.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.46 80.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -68.37 -31.48 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -31.47 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -91.88 153.64 19.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.42 149.46 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.402 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -159.0 175.41 35.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.484 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 9.1 pt -109.65 155.08 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.9 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.498 ' CE1' HG13 ' A' ' 65' ' ' ILE . 8.3 p90 -157.72 144.12 12.96 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 7.8 Cg_exo -72.36 142.19 36.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.471 2.114 . . . . 0.0 111.95 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.433 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -69.55 -9.92 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.7 t -49.65 -25.06 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.433 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.7 p90 -134.33 26.19 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.498 HG13 ' CE1' ' A' ' 60' ' ' PHE . 35.9 mm -105.68 136.25 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.106 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -141.62 112.38 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.04 139.62 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.867 0.365 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.42 -157.14 8.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.388 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -127.19 149.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.98 108.48 12.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.3 p90 -102.41 92.3 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.467 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.42 174.79 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -120.13 57.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.245 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.36 145.58 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -134.26 115.59 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 153.95 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.97 30.55 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.31 176.3 41.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.9 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -30.51 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -113.64 171.56 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.531 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 4.2 tp -138.84 137.11 36.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -73.85 146.52 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -136.57 137.32 40.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -126.46 163.4 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 30.9 mt -72.74 136.42 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.8 -4.59 72.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.769 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.22 145.29 25.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 111.157 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -92.01 151.07 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.37 137.36 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.769 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -108.23 108.43 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.174 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mt -78.94 131.16 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.6 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 pp -108.75 -20.87 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.68 151.3 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 t -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.887 0.375 . . . . 0.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -177.76 -68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 179.25 102.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.71 29.92 65.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.008 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.612 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -166.99 93.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.68 157.85 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -116.59 133.57 55.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.654 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.65 -161.25 18.37 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.8 p90 -152.63 149.66 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.6 p -81.55 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.24 -28.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.29 94.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.7 82.24 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -73.93 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -54.43 -39.64 67.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -96.98 149.82 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.38 152.92 49.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.835 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.531 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -167.31 -172.85 34.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -125.2 156.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.3 p90 -151.87 152.45 30.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 10.1 Cg_exo -70.98 140.7 38.65 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.692 2.261 . . . . 0.0 112.027 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.06 58.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.65 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -25.22 4.11 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 51.5 p90 -136.2 43.79 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.299 . . . . 0.0 111.679 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 60' ' ' PHE . 22.8 mm -123.49 124.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.206 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.94 119.75 24.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.23 132.6 36.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.45 141.8 8.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.232 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.3 t -96.42 146.75 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -127.13 123.3 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -112.06 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.444 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.74 174.09 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.857 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -117.65 55.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.995 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -86.5 147.85 25.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.397 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.82 148.56 49.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HB2' ' CA ' ' A' ' 28' ' ' LEU . . . -98.23 149.7 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 0.0 111.464 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.37 -20.12 13.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.66 -167.06 16.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.617 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.3 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.252 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -31.08 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.994 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.09 174.84 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CA ' ' HB2' ' A' ' 22' ' ' ALA . 2.9 tt -146.99 133.51 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 t -63.8 122.23 15.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -105.1 137.78 42.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -132.93 156.66 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 7.0 mt -67.68 140.78 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -1.33 87.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.699 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.26 139.25 31.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 111.368 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -93.27 151.01 20.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.075 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 28.8 m -140.39 141.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.842 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -99.68 107.97 20.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.692 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 mt -71.9 108.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.611 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -92.94 -42.07 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.336 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.3 mt-10 -123.92 166.47 15.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.529 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 HG23 ' CE1' ' A' ' 46' ' ' TYR . 16.1 m -147.99 167.09 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.679 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 3.7 t80 -176.33 37.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 111.398 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 100.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.627 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.45 26.6 64.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.766 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.597 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -163.23 93.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -119.38 151.55 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.308 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 100.7 8.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.678 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.83 168.76 22.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.589 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -110.38 138.42 46.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.39 148.7 50.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.8 -37.67 87.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -30.14 63.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -121.16 74.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.85 -0.96 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.466 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -83.26 -31.04 27.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.131 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -121.63 154.29 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.215 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.07 155.36 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.77 -177.64 25.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.806 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.49 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 4.0 pt -126.47 154.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.662 0.268 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -159.95 152.94 18.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.0 Cg_endo -80.74 143.5 14.88 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.618 2.212 . . . . 0.0 112.249 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.82 -9.73 52.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.852 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -49.46 -25.07 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' CE2' ' HG2' ' A' ' 61' ' ' PRO . 36.8 p90 -134.31 25.47 3.82 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.444 HG13 ' CE1' ' A' ' 60' ' ' PHE . 43.8 mm -104.29 146.78 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.271 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.55 112.33 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.28 140.03 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.91 168.98 24.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.84 144.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.91 103.78 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.22 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -93.35 92.34 7.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.427 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.496 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 16.7 t80 -161.38 166.01 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.863 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -113.82 52.14 0.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.455 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -78.28 142.48 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -138.99 86.64 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 150.11 23.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -107.74 -20.9 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.97 -176.82 14.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.43 -26.82 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.12 -30.58 62.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -121.99 174.05 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 6.7 tt -137.56 136.02 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 129.45 41.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.4 tp -116.43 126.38 53.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -117.69 153.26 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.428 HD13 HG22 ' A' ' 32' ' ' ILE . 36.1 mt -71.67 133.58 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.87 -1.51 80.87 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.848 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.26 144.04 26.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 13' ' ' TYR . 2.6 m -91.99 157.45 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.2 m -146.35 137.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.411 . . . . 0.0 111.655 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -98.02 109.66 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.364 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.75 134.58 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.65 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.18 -32.04 3.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.805 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -127.02 143.68 51.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.72 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -132.51 172.51 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 44.2 t80 -177.19 37.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.976 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 62.23 99.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.744 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.94 39.6 97.21 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.151 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.638 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -176.96 91.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.436 ' CZ ' ' HB1' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.73 154.68 33.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -179.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -118.6 146.89 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.226 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.93 -160.67 24.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.743 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 2.1 p90 -136.45 139.59 42.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.87 154.68 41.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.99 -29.35 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -83.43 -48.85 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -102.58 81.89 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -68.99 -30.15 68.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -70.08 -54.28 13.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -67.69 138.38 56.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -137.94 145.13 41.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -163.4 -176.66 35.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.667 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 6.5 pt -109.77 155.16 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 7.1 p90 -152.24 152.76 30.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.96 143.15 40.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.05 -26.82 64.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 m -61.04 -22.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.295 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 43.2 m-85 -114.81 41.23 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.211 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 15.1 mm -138.23 159.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.947 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -144.85 125.38 14.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.68 123.77 26.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 p90 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.793 0.33 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.62 -162.29 9.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 143.4 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.55 114.27 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.7 p90 -108.15 92.42 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.766 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.36 173.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.897 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -120.83 61.05 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.205 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -98.25 141.03 31.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.241 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -127.35 112.91 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.74 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.96 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.04 -22.86 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.77 -171.97 15.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.28 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.87 -31.42 68.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.5 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.6 tt -143.97 134.13 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.751 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -65.89 139.08 58.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 60' ' ' PHE . 4.3 mt -131.47 135.63 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -131.3 162.16 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 10.6 mt -69.57 138.22 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.17 71.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.77 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.26 149.39 21.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 111.028 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -102.3 145.4 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -134.9 137.06 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.582 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.436 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 38.1 t60 -99.02 108.18 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.76 106.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.379 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -86.65 -28.32 23.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.558 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.1 151.0 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 10.5 t -130.83 172.67 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -176.88 33.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.4 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.023 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.11 33.88 69.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.325 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.645 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -180.0 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.4 m-85 -119.55 147.19 44.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.945 0.402 . . . . 0.0 111.457 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -112.91 126.76 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.325 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.34 -165.34 13.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.818 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 26.5 p90 -135.29 127.09 29.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.45 145.11 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.36 -29.93 64.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -80.5 -39.26 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 75.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -76.07 -11.71 59.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.375 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -89.51 -30.18 18.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 152.65 19.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.27 158.53 39.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.716 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -169.77 -172.78 36.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.691 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -123.83 154.99 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.985 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.8 p90 -155.01 148.58 18.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.806 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 76.9 Cg_endo -78.15 142.91 19.68 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.57 2.18 . . . . 0.0 112.345 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.25 -9.7 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 m -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 36.0 p90 -135.86 27.54 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.6 mm -105.8 135.9 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -135.81 120.82 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.96 129.77 39.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.8 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.21 -154.05 6.5 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.602 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.75 154.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.64 105.51 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.62 92.33 6.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.651 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 19.4 t80 -161.41 164.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -112.17 55.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -81.95 146.65 29.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.238 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -132.6 98.08 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.516 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 121.77 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.404 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 27.57 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.71 169.07 26.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.27 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -59.15 -30.36 68.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.84 170.1 10.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 7.8 tt -130.39 133.64 46.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 m -67.19 143.04 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 60' ' ' PHE . 8.4 mt -130.87 136.98 49.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -124.84 154.47 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 32' ' ' ILE . 48.2 mt -70.53 127.3 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.1 -9.64 59.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.39 146.16 27.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 m -91.9 149.24 21.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.91 137.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.549 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -100.3 113.97 27.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.225 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.62 120.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 pp -110.39 -18.8 13.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.38 157.04 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 14.1 t -157.71 -179.76 8.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -179.4 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.72 102.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.561 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.82 31.74 76.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.987 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.646 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -170.74 96.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.47 ' CZ ' ' CB ' ' A' ' 62' ' ' ALA . 2.7 m-85 -119.53 166.93 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 111.169 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.5 146.27 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.456 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.62 -164.3 29.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.747 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -140.12 132.59 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 143.29 53.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.97 -30.77 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -42.35 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 87.36 2.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.11 -30.53 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.02 -39.75 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 134.22 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -137.9 137.78 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -161.48 -159.63 10.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.686 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -126.53 167.52 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 3.1 p90 -159.85 160.38 27.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.31 138.5 36.2 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.838 2.359 . . . . 0.0 112.198 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' CB ' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.69 -10.27 59.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.805 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -87.71 11.23 15.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.268 . . . . 0.0 111.443 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 55.0 m-85 -144.13 34.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 11.3 mm -134.15 148.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.84 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -148.55 112.4 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.04 144.64 53.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' NE2' ' A' ' 37' ' ' HIS . 2.0 m-85 . . . . . 0 N--CA 1.46 0.059 0 CA-C-O 120.902 0.382 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.89 171.78 28.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.52 137.03 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.083 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.82 119.98 39.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.819 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 18.1 p90 -111.44 92.26 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.35 173.19 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -116.31 53.58 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.4 143.07 27.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.266 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -128.12 118.26 23.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.767 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.5 140.77 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -98.91 -20.18 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.005 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -170.89 17.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.412 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.19 64.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -32.05 69.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.72 174.16 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.27 129.85 24.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -60.91 126.09 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 130.3 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -125.45 153.89 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 27.3 mt -68.65 137.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.9 76.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.72 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.24 134.88 37.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.781 0.324 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -91.93 142.37 27.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' CG2' ' CE2' ' A' ' 60' ' ' PHE . 28.6 m -133.71 144.79 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.705 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.448 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 36.7 m170 -98.06 108.31 20.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.05 114.55 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.321 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -95.34 -38.57 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.653 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.18 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.503 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 11.5 t -133.91 -175.21 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.023 0.439 . . . . 0.0 111.342 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -176.62 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -166.27 -65.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.452 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.58 32.12 3.26 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.764 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.632 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -161.13 103.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.451 ' CD1' ' HA ' ' A' ' 41' ' ' THR . 4.1 m-30 -119.4 153.39 35.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.424 . . . . 0.0 111.419 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.77 129.96 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.479 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.02 -165.83 16.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.64 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -139.69 129.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.338 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.77 15.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -137.15 91.42 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -74.74 -31.47 61.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -58.57 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -71.69 128.52 36.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.95 161.74 14.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.55 -173.09 35.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.586 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.3 pt -132.74 155.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 65' ' ' ILE . 6.6 p90 -151.17 144.15 16.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.455 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 13.1 Cg_exo -69.54 145.9 59.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.627 2.218 . . . . 0.0 112.037 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.02 58.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.69 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.2 p -52.39 -23.44 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 50.5 p90 -139.34 40.02 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 60' ' ' PHE . 33.2 mm -113.06 130.39 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -133.47 112.74 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.83 138.94 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.735 0.303 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.49 179.15 37.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.577 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.72 154.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.52 109.81 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.257 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 11.3 p90 -96.95 92.54 6.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.617 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t80 -161.35 163.97 30.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -109.52 52.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.377 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -77.81 141.0 39.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -132.16 97.2 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.662 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.0 126.26 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.326 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -99.66 29.23 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.46 166.09 27.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.86 69.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.252 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -46.37 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.15 157.19 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 6.6 tt -114.9 134.34 55.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -65.23 144.02 57.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.81 126.25 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.34 152.63 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.99 132.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.59 78.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.811 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.21 145.24 25.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 m -94.58 152.18 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 17.3 m -140.17 137.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 111.52 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.26 109.57 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.03 126.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -108.59 -24.08 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -136.56 159.62 41.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 t -148.49 158.39 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 46.0 t80 -165.4 30.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 61.65 99.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.25 31.28 66.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.203 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.648 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.38 94.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.755 0.312 . . . . 0.0 110.284 -179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 62' ' ' ALA . 1.6 m-85 -119.61 157.06 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.334 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -121.27 151.58 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.22 -150.35 12.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -153.91 150.41 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.87 158.73 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.22 -30.51 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 92.76 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.06 -32.93 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -63.49 -37.06 85.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.46 124.59 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -119.92 140.17 51.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.497 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -164.63 -176.45 36.38 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.493 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -124.07 155.14 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.001 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.453 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 5.1 p90 -147.56 156.77 45.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.97 141.48 33.21 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.605 2.203 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.57 -10.27 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.878 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -87.18 11.34 14.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.604 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.502 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 29.1 m-85 -144.76 33.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.453 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 18.2 mm -130.28 160.39 41.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -142.08 112.42 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.63 123.51 21.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.26 -176.4 14.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.4 t -114.89 145.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.87 131.83 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.67 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 17.1 p90 -118.8 92.46 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 111.02 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.495 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.53 172.73 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 179.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -120.02 60.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.21 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -105.44 136.49 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.244 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -118.37 119.99 36.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.75 120.67 12.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -76.26 -22.04 55.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.56 -169.6 18.75 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.79 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.669 0.271 . . . . 0.0 111.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.32 -35.32 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.82 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 3.5 tp -132.89 129.57 38.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -70.55 108.94 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.4 128.93 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -123.3 147.73 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.548 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 21.6 mt -60.28 128.89 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.192 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.78 -0.89 63.14 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.37 144.76 25.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.871 0.367 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 m -98.39 151.03 20.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.385 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.94 137.12 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.955 0.407 . . . . 0.0 111.795 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -99.44 108.86 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.18 130.53 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.846 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 3.9 pp -111.03 -38.49 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -119.62 161.0 21.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.966 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.455 HG22 ' CE1' ' A' ' 46' ' ' TYR . 15.1 m -155.03 162.75 40.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.979 0.418 . . . . 0.0 111.31 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.416 ' N ' ' CG2' ' A' ' 41' ' ' THR . 71.6 t80 -162.98 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.585 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -178.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.46 28.23 72.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.384 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.674 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -168.42 95.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 m-85 -119.8 158.35 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.339 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 6.5 mmt85 -106.69 146.24 31.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.275 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.76 -174.52 45.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -136.44 144.56 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 110.807 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.02 147.49 48.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -54.76 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -118.12 93.0 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -74.58 -25.05 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -65.18 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.13 146.84 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 158.12 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -179.56 -173.89 45.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 13.2 pt -115.9 160.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 111.483 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.441 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 p90 -156.24 148.72 17.82 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 6.7 Cg_exo -73.68 135.97 22.61 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.397 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.74 -10.12 58.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.674 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -50.76 -25.05 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 52.6 p90 -134.42 42.67 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 31.0 mm -119.93 136.32 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 111.211 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -133.96 112.48 11.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.802 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.0 123.03 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.898 0.38 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.99 -153.47 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.87 150.27 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.26 102.9 7.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.9 p90 -97.26 92.38 5.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.771 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.23 174.13 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.903 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -114.42 52.5 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -79.84 138.52 37.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -129.72 96.82 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.09 149.61 15.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 29.58 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.5 176.56 41.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.28 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.302 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -14.81 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 141.57 49.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.016 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.484 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 6.2 tt -112.14 133.97 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -67.31 150.31 49.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.199 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 60' ' ' PHE . 12.4 mt -140.72 130.04 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.703 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -119.21 160.05 22.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 42.8 mt -71.67 132.12 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 -3.32 66.56 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.635 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -91.95 161.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.495 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.6 m -142.27 137.19 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.588 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -105.93 108.52 20.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.158 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mt -85.02 130.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.74 -33.54 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.549 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.0 OUTLIER -131.87 143.2 50.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.423 HG23 ' CD1' ' A' ' 46' ' ' TYR . 3.1 p -129.16 -179.52 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 t80 178.15 36.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 56.86 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.781 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.58 35.54 81.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.046 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.633 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.84 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -119.74 146.99 45.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 111.205 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -104.51 151.47 23.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.607 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.02 -159.94 33.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.602 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -147.1 152.25 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.23 154.36 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.98 -31.13 69.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -69.37 -60.77 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 86.31 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.96 -30.53 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m -64.5 -50.7 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 147.74 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.07 148.21 44.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -168.1 -177.71 39.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.484 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.8 pt -117.55 155.06 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.478 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.6 p90 -149.29 151.83 34.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 95.2 Cg_endo -80.37 141.83 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.626 2.217 . . . . 0.0 112.343 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.07 -9.77 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -49.24 -25.27 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 42.0 p90 -136.45 29.77 2.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.773 0.321 . . . . 0.0 111.836 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.4 mm -107.7 132.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 111.187 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -135.85 114.68 12.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.45 146.76 52.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.06 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 178.35 18.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.8 t -108.48 142.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.22 105.3 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.9 p90 -100.7 92.15 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.824 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.76 175.8 11.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.016 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -116.95 57.31 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.104 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -85.48 146.29 27.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.1 115.6 15.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.731 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 133.28 54.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.33 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.95 41.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.15 -166.87 21.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.372 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.78 70.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.26 -33.8 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.51 163.18 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -126.94 128.69 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.66 143.01 57.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.81 139.13 48.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.641 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -131.31 164.35 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 18.9 mt -71.51 134.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -7.41 61.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.33 143.83 26.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 111.065 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.9 m -102.63 134.99 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.01 141.27 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -97.96 108.36 21.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.1 112.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -95.57 -27.56 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.639 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.4 mt-10 -144.32 158.71 43.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.1 p -132.51 169.4 16.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.24 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.451 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 46.7 t80 -178.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.303 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 51.95 94.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 28.96 66.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.902 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.633 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -171.34 92.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.25 147.1 44.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.463 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -113.01 123.8 51.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.352 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.12 -176.3 26.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.695 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -124.13 140.35 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 147.95 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.96 -30.83 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -80.58 -45.2 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.08 83.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -74.13 -31.56 62.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -71.78 -42.03 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -82.73 118.24 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -109.31 152.04 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.54 -168.53 21.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.583 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.482 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 pt -129.91 155.02 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -155.51 152.83 25.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.1 Cg_endo -79.88 146.3 18.39 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -69.22 -9.65 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.857 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -49.31 -24.82 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.2 p90 -138.96 34.63 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.462 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.2 mm -112.36 130.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -126.24 132.8 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.57 117.84 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.77 -157.18 7.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.1 t -131.29 154.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.65 108.37 9.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 29.8 p90 -101.85 92.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.0 110.997 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.51 174.84 12.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.023 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -120.43 63.8 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.371 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.88 141.7 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.133 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.7 151.26 32.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.71 131.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.255 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -103.07 29.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.39 176.64 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.272 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.18 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -42.81 91.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -104.27 -176.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.73 129.7 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 p -72.2 113.44 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.485 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 60' ' ' PHE . 8.8 mt -110.58 133.9 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.243 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -127.5 156.12 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 22.5 mt -66.26 131.82 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.81 -1.99 63.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.768 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.4 140.12 30.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -91.94 144.79 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.094 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.55 140.37 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 111.875 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -106.84 108.98 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.164 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.16 128.69 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.704 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 pp -110.51 -33.96 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.178 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 4.1 mt-10 -123.58 166.56 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.9 p -161.49 -179.18 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.196 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.1 t80 179.25 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.638 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 177.04 102.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.57 24.88 60.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.651 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.644 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -160.98 92.05 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -119.69 166.55 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 111.337 -179.05 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.7 ttt180 -122.38 154.39 37.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.36 -164.23 33.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -153.58 134.18 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.1 p -65.49 143.74 57.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.51 -29.47 66.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -33.44 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -126.52 67.59 1.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -65.83 -28.22 68.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -65.94 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.91 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -126.52 171.13 11.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.83 -163.6 30.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.483 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 7.4 pt -118.53 155.07 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.466 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -149.28 151.05 33.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 71.8 Cg_endo -77.29 140.51 19.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 0.0 112.396 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.28 -9.69 54.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -49.33 -24.81 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 26.8 p90 -136.78 25.28 3.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.932 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.5 mm -99.3 134.45 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -135.01 112.37 10.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.82 146.66 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.799 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.23 -172.61 14.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.7 150.13 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.87 105.34 8.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.499 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.4 p90 -99.52 92.17 5.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.67 174.97 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -115.11 51.14 0.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.185 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -78.17 136.41 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.308 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -125.81 105.0 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 157.22 22.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -130.72 28.82 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.29 -174.8 38.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.394 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.62 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.47 -31.66 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -120.44 165.04 15.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.5 tt -132.24 131.84 42.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.2 p -65.32 128.48 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 60' ' ' PHE . 4.6 mt -119.14 130.98 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.48 159.34 26.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 38.4 mt -70.86 136.28 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.22 -2.64 78.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.728 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.27 147.85 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.347 . . . . 0.0 111.213 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 HG21 ' CD1' ' A' ' 13' ' ' TYR . 5.5 m -97.42 153.63 17.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.322 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.9 m -142.19 137.16 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.001 0.429 . . . . 0.0 111.771 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -99.4 108.36 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.218 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -78.78 130.29 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.756 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.34 -39.94 4.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.078 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 10.4 mt-10 -116.39 166.65 11.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.059 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 46' ' ' TYR . 10.9 p -153.98 176.46 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 176.46 35.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 54.6 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.89 33.94 59.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.967 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.565 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.48 86.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -119.7 155.55 32.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.965 0.412 . . . . 0.0 111.37 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' CB ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -112.56 149.18 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.696 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.53 -176.72 46.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -130.45 132.51 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.9 157.94 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.01 -31.11 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -71.39 -36.46 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 99.83 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -32.08 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 p -69.1 -29.05 67.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -86.47 137.35 32.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -128.43 156.45 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.761 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -173.36 174.89 46.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.504 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 1.7 pt -117.8 155.05 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -155.48 153.87 27.28 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 Cg_exo -73.92 140.87 29.29 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.796 2.331 . . . . 0.0 111.953 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.46 -10.13 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.64 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -49.69 -26.31 3.65 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.704 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 50.6 p90 -135.72 41.55 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.298 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.495 HG13 ' CE1' ' A' ' 60' ' ' PHE . 38.6 mm -123.17 134.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.086 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -137.32 113.53 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.47 130.14 36.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.78 0.324 . . . . 0.0 110.776 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 175.72 21.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.551 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 t -98.8 146.5 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.28 106.71 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -94.11 92.08 7.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 0.0 110.511 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -161.66 159.02 26.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.122 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -107.0 58.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.083 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.58 134.69 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.412 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -121.91 109.36 14.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.02 128.59 36.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.335 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -77.88 -26.33 49.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.36 -159.0 9.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.84 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.308 . . . . 0.0 111.241 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -36.63 70.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 157.02 35.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.4 tt -113.46 135.02 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.25 137.9 51.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mt -119.85 130.0 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.637 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -119.46 145.86 45.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.67 125.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -2.13 58.7 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.732 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.32 143.34 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 13' ' ' TYR . 2.7 m -94.74 154.25 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 m -142.13 138.62 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.508 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -97.91 108.54 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.36 133.69 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.732 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pp -123.9 -36.75 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.658 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.4 151.1 41.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.406 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 9.4 t -139.18 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -177.33 36.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.192 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.42 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.615 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.31 36.45 93.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.854 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.605 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -176.65 91.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.472 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.67 147.08 44.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.92 0.391 . . . . 0.0 111.215 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -107.14 144.19 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.71 37.45 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -132.43 139.06 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.74 149.35 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.32 -30.8 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -73.46 -67.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -97.89 79.82 2.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -30.66 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 m -59.33 -31.14 68.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.09 151.92 21.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -136.12 153.9 51.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -170.13 -165.34 27.34 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.4 pt -134.1 166.05 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 3.3 p90 -159.93 159.0 27.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.8 140.35 31.98 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.968 2.446 . . . . 0.0 112.091 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.82 60.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.792 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.31 11.43 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.44 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -143.24 33.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 14.8 mm -128.28 161.38 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.927 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -148.54 112.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.11 119.31 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 37' ' ' HIS . 2.6 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.9 -150.31 5.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.31 143.61 40.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.05 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.53 114.23 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.3 p90 -106.94 92.26 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.507 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -161.59 176.79 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.962 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -117.68 54.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.96 140.38 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.499 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -128.48 102.35 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 164.8 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.396 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 28.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 178.42 42.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.17 64.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -30.33 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 163.63 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.979 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.1 tt -135.6 136.51 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -68.05 137.43 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 60' ' ' PHE . 5.1 mt -129.21 137.39 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.67 159.7 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 8.6 mt -67.17 136.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.227 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 -3.36 79.83 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.721 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.36 139.97 30.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 m -92.15 145.47 24.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.491 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.51 137.49 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 26.0 t-80 -103.86 114.04 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 46' ' ' TYR . 3.3 mt -81.21 131.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.616 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -117.72 -22.39 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.997 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.41 150.38 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.487 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 13.7 t -153.67 179.24 9.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.246 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -178.22 -64.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -177.5 101.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.43 26.54 69.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.118 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.672 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -159.43 100.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 2.8 m-85 -119.64 147.11 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -114.46 148.58 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.51 -155.61 18.06 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.683 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -146.65 140.93 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.08 151.92 46.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.5 -30.75 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -78.94 -46.54 18.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -104.42 86.71 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -77.71 -33.33 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -70.11 -30.0 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.63 148.48 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -136.09 154.56 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.446 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -172.39 -175.75 40.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.596 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 45' ' ' TRP . 13.2 pt -124.02 155.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -151.55 149.43 24.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 73.2 Cg_endo -76.14 138.17 20.07 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -66.57 -9.72 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.914 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.42 -24.61 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 14.6 p90 -135.75 19.4 3.29 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 60' ' ' PHE . 46.5 mm -94.5 144.88 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.228 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -139.69 112.45 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.67 133.91 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.771 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.51 -156.22 7.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -125.69 146.44 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.23 106.77 12.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.3 p90 -101.62 92.19 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.35 175.89 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.032 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.95 60.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -101.31 144.88 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.04 154.34 36.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.16 167.16 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -133.58 29.81 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.65 -171.11 26.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.366 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.0 68.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.13 -31.82 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.19 170.65 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 7.7 tt -139.79 134.22 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -73.75 139.73 45.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.174 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 60' ' ' PHE . 2.2 mt -129.76 137.44 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -130.23 163.8 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 13.3 mt -69.75 134.43 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.85 -5.85 64.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.815 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.28 149.24 21.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 m -102.88 146.6 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.04 140.48 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.577 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -103.15 111.88 24.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.508 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.13 121.62 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.41 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -110.83 -24.61 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.794 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.94 151.14 51.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.405 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 15.2 t -148.61 -179.7 7.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -177.69 -65.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 179.87 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.05 28.29 60.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.002 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.636 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -164.36 99.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' HB1' ' A' ' 62' ' ' ALA . 2.6 m-85 -119.74 160.9 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.48 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -122.08 130.16 53.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.57 -163.54 13.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.618 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -142.75 125.8 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.9 147.47 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.59 -30.57 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -75.62 -33.26 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -118.38 81.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -71.78 -31.36 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.99 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -77.34 -40.87 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 136.07 36.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -123.15 150.95 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -165.15 -171.79 31.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.69 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 pt -128.85 155.04 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.483 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -149.93 154.52 37.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.6 Cg_endo -77.78 138.9 17.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.461 2.107 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 46' ' ' TYR . . . -67.81 -9.72 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.913 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -49.37 -24.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 40.2 p90 -137.35 24.18 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.483 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.6 mm -99.9 132.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.166 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -131.18 121.12 24.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.2 135.61 42.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.826 0.346 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.36 -156.15 9.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.79 149.53 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.97 110.96 15.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.857 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 16.0 p90 -105.57 92.19 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.442 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.69 178.26 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.015 179.462 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -117.13 54.36 0.87 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.192 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.44 127.2 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.56 86.16 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.67 163.72 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -139.17 30.03 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.31 171.83 39.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.411 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.62 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.1 -32.27 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -104.1 -178.41 3.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.25 130.43 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -78.39 114.01 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.694 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.04 142.87 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.61 162.16 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.0 mt -68.64 133.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.28 -5.85 61.16 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.724 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -95.29 147.04 23.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -98.08 141.86 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.548 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -128.19 143.45 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -102.59 108.31 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.319 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -66.86 114.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.144 0.497 . . . . 0.0 111.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD2' ' HG2' ' A' ' 40' ' ' GLU . 6.0 tt -95.13 -48.34 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.548 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.642 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 4.7 mm-40 -132.45 155.43 48.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.95 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 46' ' ' TYR . 13.0 t -151.41 171.67 17.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -169.82 -66.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.703 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.97 100.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.64 80.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.224 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.629 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -172.0 88.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 110.337 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.642 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -119.56 147.0 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.096 -179.418 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 0.6 OUTLIER -102.71 141.05 36.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.14 -165.2 20.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.588 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -149.03 127.49 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 165.47 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.1 -32.0 63.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -68.54 -50.84 48.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -120.22 75.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.23 -30.12 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.3 113.44 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -95.45 150.15 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.69 -175.57 31.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -123.68 155.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.261 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.0 p90 -149.03 151.24 34.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.018 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 7.6 Cg_exo -72.39 143.01 38.09 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.842 2.361 . . . . 0.0 112.419 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.66 -10.07 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.884 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.9 p -52.36 -22.67 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 51.6 p90 -139.35 41.74 2.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG13 ' CE1' ' A' ' 60' ' ' PHE . 23.8 mm -118.37 130.81 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.968 0.414 . . . . 0.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -140.64 114.56 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.85 144.62 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.59 -156.6 6.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.9 t -123.65 154.71 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.02 117.59 21.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.9 p90 -107.97 92.67 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.984 0.421 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -160.94 173.32 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -120.08 61.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.395 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -98.14 134.5 41.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.037 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.16 115.7 24.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.45 159.24 34.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.317 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -106.86 -28.34 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.4 -161.77 10.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.432 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.03 -27.87 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.5 -35.25 69.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.016 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -176.57 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -141.93 134.29 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.39 110.16 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.39 136.54 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -131.58 154.55 48.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.2 mt -66.57 133.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.64 -2.88 67.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.631 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.3 143.19 26.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.7 m -93.59 136.16 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.406 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -121.81 137.2 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.626 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -101.39 108.14 19.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.91 138.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.436 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.37 -45.54 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.444 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 3.0 mt-10 -133.33 156.71 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.288 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 46' ' ' TYR . 71.0 p -138.73 175.62 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.383 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -179.09 37.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.12 100.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.28 88.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.042 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.652 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -172.82 91.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.633 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -119.64 147.06 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 111.528 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -109.02 138.26 45.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.477 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.85 179.92 44.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.635 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -123.36 146.87 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.99 159.32 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.11 -36.25 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -59.98 -32.46 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 91.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -67.78 -28.91 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -30.96 66.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.43 130.79 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 134.38 48.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' N ' ' CD1' ' A' ' 28' ' ' LEU . . . -158.47 -172.18 25.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.57 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.479 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.9 pt -118.7 154.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.001 0.429 . . . . 0.0 111.312 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.7 p90 -154.74 147.99 18.33 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 Cg_endo -77.93 141.97 19.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.42 2.08 . . . . 0.0 112.395 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -69.68 -9.82 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.917 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.3 p -49.58 -24.68 2.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 22.9 p90 -132.94 18.71 4.14 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.442 HG13 ' CE1' ' A' ' 60' ' ' PHE . 50.6 mm -94.57 145.09 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 0.0 111.239 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -146.88 114.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.67 141.65 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.73 -175.85 14.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.619 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 150.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.06 112.98 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 10.0 p90 -103.29 92.21 4.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.611 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 24.1 t80 -161.56 163.62 30.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.05 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -111.45 57.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.39 132.95 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.284 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -122.06 95.68 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.627 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 144.46 53.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.82 27.95 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.761 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.96 -179.48 46.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.26 64.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.325 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.41 -40.31 86.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.04 165.61 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 7.7 tt -131.7 135.03 46.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.5 m -65.74 129.56 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.21 135.92 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.611 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -130.52 148.0 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.31 140.61 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.91 -7.56 81.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.834 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.72 136.97 32.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 m -92.06 131.54 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.1 m -115.44 138.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.539 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -97.97 108.34 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.66 122.47 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.608 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -114.82 -25.8 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.4 149.78 52.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.617 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 8.8 t -155.28 179.7 8.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.104 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -177.83 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 179.02 102.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.6 30.46 74.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.976 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.668 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -165.83 99.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.471 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 3.5 m-85 -119.63 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.947 0.403 . . . . 0.0 111.416 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -117.43 144.13 45.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.262 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.72 -157.23 16.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.686 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.46 141.79 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 p -76.0 157.46 33.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.46 -30.56 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.93 -65.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 101.09 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -75.57 -33.08 60.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -30.6 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 119.51 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -119.37 153.61 34.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -174.75 -177.82 44.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.594 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 13.4 pt -114.61 155.11 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 3.2 p90 -147.95 156.11 44.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.244 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.6 Cg_exo -63.81 142.4 82.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.645 2.23 . . . . 0.0 111.832 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.471 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -70.43 -41.74 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.697 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -57.13 -23.42 47.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.479 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 35.9 m-85 -104.24 38.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.047 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 15.7 mm -139.41 158.08 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -148.64 112.5 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.13 131.73 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -131.4 169.78 15.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.81 123.59 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.496 ' CD1' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -83.1 162.72 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 5.8 t -79.85 141.57 55.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 6.4 Cg_endo -86.03 18.63 1.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.917 2.411 . . . . 0.0 112.782 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t 42.75 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -107.49 165.86 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 59.88 34.86 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -108.14 162.64 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.4 -66.77 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -172.05 -72.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -140.15 178.47 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.69 -151.32 5.43 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.03 148.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.36 113.31 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.802 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 22.2 p90 -107.0 92.24 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.016 0.436 . . . . 0.0 110.944 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.65 177.65 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -117.25 53.05 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.04 134.43 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.428 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.86 89.73 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.87 137.34 56.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.332 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -116.98 29.41 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.57 169.45 38.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.29 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.89 -36.64 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.29 -178.19 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.62 132.34 15.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -72.63 120.43 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 HD12 ' CD2' ' A' ' 60' ' ' PHE . 7.0 mt -120.84 137.45 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.77 158.18 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 11.5 mt -67.66 135.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.45 -4.78 64.52 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.724 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.31 150.21 20.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.915 0.388 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.3 m -104.41 139.84 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.346 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -129.53 138.0 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.657 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -100.28 108.43 20.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.69 128.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.601 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -112.44 -29.96 7.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.593 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 14.6 mm-40 -129.95 165.33 22.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.491 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 10.2 t -157.15 166.79 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.496 ' CD1' ' CD1' ' A' ' 4' ' ' TRP . 23.3 t80 -174.92 34.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.33 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 65.61 102.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.018 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 37.4 94.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.223 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.649 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.45 92.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 1.9 m-85 -119.33 159.33 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.056 0.455 . . . . 0.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 9.8 ttt180 -123.14 150.79 42.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.78 -152.86 13.68 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.629 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -154.66 145.26 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.83 148.37 49.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.6 -29.39 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -116.93 78.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -77.08 -30.33 55.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -68.16 -30.9 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 146.16 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.91 143.95 41.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.99 -179.88 40.32 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.552 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 8.0 pt -111.87 161.58 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.368 . . . . 0.0 111.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.9 p90 -157.4 149.87 17.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 12.2 Cg_exo -70.15 135.28 29.14 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -70.5 -10.13 58.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.654 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -51.01 -24.7 3.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.881 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 49.3 p90 -132.19 28.01 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.481 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.4 mm -107.97 134.94 48.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.021 0.439 . . . . 0.0 111.26 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -135.83 112.33 9.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.692 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.43 139.13 47.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -114.47 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.65 45.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.2 157.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.12 170.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.4 m -134.9 131.96 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.48 134.06 38.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.313 -1.271 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.13 99.95 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -64.15 154.39 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -77.12 -169.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 t -130.96 141.39 41.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.524 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.89 179.78 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.551 2.167 . . . . 0.0 111.945 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 p -121.99 120.2 33.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.058 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -125.21 172.76 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.792 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.23 30.06 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -8.21 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.69 -66.81 0.25 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -149.75 -69.79 0.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -151.84 179.88 8.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.9 -165.4 10.34 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -120.52 148.64 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.52 116.96 21.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.3 p90 -109.28 92.4 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.433 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.55 173.39 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.966 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -113.96 49.88 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.152 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -77.11 139.5 40.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.329 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -135.04 103.84 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 137.12 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.335 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -92.46 -22.27 19.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.37 177.02 18.55 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.96 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.55 -34.64 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -173.33 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 4.5 tt -151.08 126.47 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -64.75 128.05 34.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.56 134.73 52.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.725 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.86 156.47 42.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.7 mt -69.26 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 -4.66 86.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -95.31 144.8 25.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.8 m -99.8 130.17 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 m -114.73 138.99 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.454 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -97.91 108.35 21.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.92 106.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -94.02 -31.04 14.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -145.7 142.32 28.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 t -144.55 -178.95 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 111.193 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -178.29 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.786 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -177.97 101.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 34.15 87.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.101 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -172.25 93.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.433 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 1.1 m-85 -119.68 146.99 45.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.013 0.435 . . . . 0.0 111.202 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 1.7 ttt180 -117.75 121.26 40.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 -163.43 9.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 49' ' ' TYR . 24.1 p90 -138.83 131.49 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.18 157.26 31.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.45 -30.64 71.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.7 mmt-85 -67.95 -52.75 32.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.46 80.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -68.37 -31.48 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -31.47 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -91.88 153.64 19.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.42 149.46 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -159.0 175.41 35.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.484 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 9.1 pt -109.65 155.08 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.9 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.498 ' CE1' HG13 ' A' ' 65' ' ' ILE . 8.3 p90 -157.72 144.12 12.96 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 7.8 Cg_exo -72.36 142.19 36.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.471 2.114 . . . . 0.0 111.95 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -69.55 -9.92 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.7 t -49.65 -25.06 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.433 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.7 p90 -134.33 26.19 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.498 HG13 ' CE1' ' A' ' 60' ' ' PHE . 35.9 mm -105.68 136.25 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.106 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -141.62 112.38 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.04 139.62 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -127.27 169.02 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.25 41.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 63.22 142.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.4 mp -124.86 142.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.0 p -177.06 130.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.79 130.95 45.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.545 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.752 0.31 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -77.76 103.76 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -128.21 107.65 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.431 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -70.42 137.78 50.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 20.4 t -77.73 139.1 62.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 94.3 Cg_endo -85.82 25.75 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.689 2.259 . . . . 0.0 112.887 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t 42.82 59.52 2.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.431 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -67.31 158.55 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.11 30.49 19.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -149.31 78.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -98.81 32.93 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 162.9 17.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.34 163.45 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.42 -157.14 8.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.388 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -127.19 149.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.98 108.48 12.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.3 p90 -102.41 92.3 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.467 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.42 174.79 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -120.13 57.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.245 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.36 145.58 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -134.26 115.59 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 153.95 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.97 30.55 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.31 176.3 41.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.9 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -30.51 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -113.64 171.56 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.531 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 4.2 tp -138.84 137.11 36.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -73.85 146.52 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -136.57 137.32 40.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -126.46 163.4 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 30.9 mt -72.74 136.42 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.8 -4.59 72.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.769 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.22 145.29 25.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 111.157 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -92.01 151.07 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.37 137.36 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.769 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -108.23 108.43 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.174 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mt -78.94 131.16 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.6 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 pp -108.75 -20.87 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -138.68 151.3 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 t -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.887 0.375 . . . . 0.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -177.76 -68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 179.25 102.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.71 29.92 65.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.008 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.612 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -166.99 93.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.68 157.85 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -116.59 133.57 55.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.654 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.65 -161.25 18.37 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.8 p90 -152.63 149.66 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.6 p -81.55 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.24 -28.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.29 94.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.7 82.24 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -73.93 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -54.43 -39.64 67.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -96.98 149.82 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.38 152.92 49.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.835 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.531 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -167.31 -172.85 34.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -125.2 156.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.3 p90 -151.87 152.45 30.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 10.1 Cg_exo -70.98 140.7 38.65 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.692 2.261 . . . . 0.0 112.027 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.06 58.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.65 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -25.22 4.11 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 51.5 p90 -136.2 43.79 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.299 . . . . 0.0 111.679 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 60' ' ' PHE . 22.8 mm -123.49 124.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.206 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.94 119.75 24.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.23 132.6 36.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -99.84 168.58 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.7 92.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.91 115.76 20.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.3 mp -68.9 141.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.24 31.0 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.13 153.88 23.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.283 -1.287 . . . . 0.0 112.577 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.717 0.294 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.1 p -106.47 33.78 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.768 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' CD1' ' CD1' ' A' ' 42' ' ' TYR . 9.1 t90 -95.32 20.71 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.238 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -129.61 88.65 49.16 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.857 0.36 . . . . 0.0 111.549 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' CD ' ' O ' ' A' ' 41' ' ' THR . 64.7 Cg_endo -88.74 -27.74 0.4 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.192 2.595 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -51.54 112.26 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.163 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.3 120.92 26.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.771 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 63.86 72.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -92.38 169.51 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -68.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.91 -66.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.48 178.81 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.45 141.8 8.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.232 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.3 t -96.42 146.75 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -127.13 123.3 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -112.06 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.444 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.74 174.09 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.857 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -117.65 55.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.995 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -86.5 147.85 25.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.397 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.82 148.56 49.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HB2' ' CA ' ' A' ' 28' ' ' LEU . . . -98.23 149.7 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 0.0 111.464 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.37 -20.12 13.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.66 -167.06 16.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.617 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.3 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.252 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -31.08 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.994 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.09 174.84 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CA ' ' HB2' ' A' ' 22' ' ' ALA . 2.9 tt -146.99 133.51 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 t -63.8 122.23 15.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -105.1 137.78 42.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -132.93 156.66 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 7.0 mt -67.68 140.78 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -1.33 87.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.699 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.26 139.25 31.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 111.368 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -93.27 151.01 20.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.075 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 28.8 m -140.39 141.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.842 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -99.68 107.97 20.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.692 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 mt -71.9 108.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.611 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -92.94 -42.07 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.336 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.3 mt-10 -123.92 166.47 15.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.529 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.45 HG23 ' CE1' ' A' ' 46' ' ' TYR . 16.1 m -147.99 167.09 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.679 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 4' ' ' TRP . 3.7 t80 -176.33 37.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 111.398 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 100.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.627 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.45 26.6 64.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.766 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.597 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -163.23 93.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -119.38 151.55 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.308 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.32 100.7 8.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.678 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.83 168.76 22.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.589 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -110.38 138.42 46.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.39 148.7 50.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.8 -37.67 87.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -30.14 63.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -121.16 74.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.85 -0.96 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.466 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -83.26 -31.04 27.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.131 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -121.63 154.29 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.215 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.07 155.36 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.77 -177.64 25.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.806 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.49 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 4.0 pt -126.47 154.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.662 0.268 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -159.95 152.94 18.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.0 Cg_endo -80.74 143.5 14.88 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.618 2.212 . . . . 0.0 112.249 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.82 -9.73 52.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.852 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -49.46 -25.07 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' CE2' ' HG2' ' A' ' 61' ' ' PRO . 36.8 p90 -134.31 25.47 3.82 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.444 HG13 ' CE1' ' A' ' 60' ' ' PHE . 43.8 mm -104.29 146.78 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.271 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.55 112.33 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.28 140.03 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -86.69 -174.94 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.57 47.27 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 63.29 52.44 2.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mm 63.81 138.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.4 m -100.89 110.89 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 139.52 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.53 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.956 0.408 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.54 151.47 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -123.19 -43.55 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.486 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -86.89 -178.6 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 3.8 m -132.88 143.88 50.51 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.383 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 16.2 Cg_exo -67.66 -163.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.68 2.253 . . . . 0.0 112.143 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 40' ' ' GLU . 47.1 p -141.09 81.23 1.78 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -88.91 83.0 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -167.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 63.7 152.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -150.56 -70.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.2 OUTLIER -142.25 179.96 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.91 168.98 24.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.84 144.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.91 103.78 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.22 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -93.35 92.34 7.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.427 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.496 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 16.7 t80 -161.38 166.01 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.863 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -113.82 52.14 0.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.455 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -78.28 142.48 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -138.99 86.64 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 150.11 23.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -107.74 -20.9 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.97 -176.82 14.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.43 -26.82 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.12 -30.58 62.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -121.99 174.05 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 6.7 tt -137.56 136.02 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 129.45 41.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.4 tp -116.43 126.38 53.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -117.69 153.26 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.428 HD13 HG22 ' A' ' 32' ' ' ILE . 36.1 mt -71.67 133.58 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.87 -1.51 80.87 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.848 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.26 144.04 26.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 13' ' ' TYR . 2.6 m -91.99 157.45 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.2 m -146.35 137.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.411 . . . . 0.0 111.655 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -98.02 109.66 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.364 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.75 134.58 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.65 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 pp -121.18 -32.04 3.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.805 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.8 mm-40 -127.02 143.68 51.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.72 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.404 ' HB ' HG23 ' A' ' 7' ' ' THR . 1.8 t -132.51 172.51 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 44.2 t80 -177.19 37.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.976 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 62.23 99.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.744 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.94 39.6 97.21 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.151 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.638 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -176.96 91.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.436 ' CZ ' ' HB1' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.73 154.68 33.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -179.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -118.6 146.89 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.226 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.93 -160.67 24.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.743 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 2.1 p90 -136.45 139.59 42.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.87 154.68 41.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.99 -29.35 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -83.43 -48.85 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -102.58 81.89 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -68.99 -30.15 68.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -70.08 -54.28 13.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -67.69 138.38 56.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -137.94 145.13 41.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -163.4 -176.66 35.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.667 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 6.5 pt -109.77 155.16 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 7.1 p90 -152.24 152.76 30.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.96 143.15 40.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.05 -26.82 64.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 m -61.04 -22.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.295 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 43.2 m-85 -114.81 41.23 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.211 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 15.1 mm -138.23 159.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.947 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -144.85 125.38 14.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.68 123.77 26.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -87.18 172.42 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.75 25.89 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.35 109.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.69 103.31 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 m -88.67 58.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.69 39.24 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -100.49 160.08 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -167.13 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.456 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 64.14 122.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.753 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -54.45 155.12 7.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.564 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.18 45.69 1.48 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.882 2.388 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.467 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER 43.09 95.51 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.084 0.469 . . . . 0.0 111.674 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.45 172.38 9.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.74 29.75 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -130.07 -178.1 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.87 -79.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.58 -77.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 70' ' ' ALA . 2.6 p90 -137.12 170.68 15.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.62 -162.29 9.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 143.4 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.55 114.27 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.7 p90 -108.15 92.42 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.766 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.36 173.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.897 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -120.83 61.05 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.205 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -98.25 141.03 31.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.241 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -127.35 112.91 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.74 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 151.96 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.04 -22.86 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.77 -171.97 15.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.28 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.87 -31.42 68.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.5 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.6 tt -143.97 134.13 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.751 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -65.89 139.08 58.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 60' ' ' PHE . 4.3 mt -131.47 135.63 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -131.3 162.16 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 10.6 mt -69.57 138.22 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.17 71.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.77 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.26 149.39 21.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 111.028 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -102.3 145.4 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -134.9 137.06 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.582 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.436 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 38.1 t60 -99.02 108.18 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.76 106.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.379 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -86.65 -28.32 23.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.558 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -150.1 151.0 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 7' ' ' THR . 10.5 t -130.83 172.67 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.442 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 56.5 t80 -176.88 33.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.4 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.023 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.11 33.88 69.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.325 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.645 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -180.0 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.4 m-85 -119.55 147.19 44.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.945 0.402 . . . . 0.0 111.457 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -112.91 126.76 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.325 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.34 -165.34 13.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.818 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 26.5 p90 -135.29 127.09 29.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.45 145.11 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.36 -29.93 64.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -80.5 -39.26 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 75.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -76.07 -11.71 59.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.375 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -89.51 -30.18 18.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 152.65 19.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.27 158.53 39.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.716 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -169.77 -172.78 36.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.691 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -123.83 154.99 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.985 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.8 p90 -155.01 148.58 18.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.806 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 76.9 Cg_endo -78.15 142.91 19.68 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.57 2.18 . . . . 0.0 112.345 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.25 -9.7 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 m -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 36.0 p90 -135.86 27.54 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.6 mm -105.8 135.9 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -135.81 120.82 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.96 129.77 39.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -95.66 -176.4 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.97 26.98 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . . . 63.04 138.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.245 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 pt -131.86 85.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.13 -178.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 66.13 95.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.532 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.74 0.305 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t -140.74 143.62 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -71.02 110.03 5.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -139.02 -172.44 3.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.436 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 15.2 t -110.4 139.99 22.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 88.2 Cg_endo -83.72 32.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.652 2.234 . . . . 0.0 112.966 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.447 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 1.3 t 42.79 97.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.97 0.414 . . . . 0.0 111.981 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -103.52 150.37 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.37 86.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -159.7 175.76 12.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.2 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -167.15 -69.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -144.3 179.84 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.21 -154.05 6.5 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.602 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.75 154.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.64 105.51 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.62 92.33 6.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.651 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 19.4 t80 -161.41 164.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -112.17 55.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -81.95 146.65 29.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.238 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -132.6 98.08 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.516 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 121.77 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.404 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 27.57 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.71 169.07 26.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.27 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -59.15 -30.36 68.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.84 170.1 10.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 7.8 tt -130.39 133.64 46.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 m -67.19 143.04 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 60' ' ' PHE . 8.4 mt -130.87 136.98 49.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -124.84 154.47 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 32' ' ' ILE . 48.2 mt -70.53 127.3 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.1 -9.64 59.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.39 146.16 27.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 m -91.9 149.24 21.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.91 137.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.549 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -100.3 113.97 27.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.225 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.62 120.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 pp -110.39 -18.8 13.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -144.38 157.04 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.447 ' CG2' ' HA ' ' A' ' 7' ' ' THR . 14.1 t -157.71 -179.76 8.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -179.4 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.72 102.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.561 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.82 31.74 76.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.987 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.646 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -170.74 96.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.47 ' CZ ' ' CB ' ' A' ' 62' ' ' ALA . 2.7 m-85 -119.53 166.93 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 111.169 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.5 146.27 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.456 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.62 -164.3 29.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.747 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -140.12 132.59 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 143.29 53.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.97 -30.77 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -42.35 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 87.36 2.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.11 -30.53 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.02 -39.75 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 134.22 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -137.9 137.78 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -161.48 -159.63 10.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.686 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -126.53 167.52 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 3.1 p90 -159.85 160.38 27.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.31 138.5 36.2 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.838 2.359 . . . . 0.0 112.198 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' CB ' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.69 -10.27 59.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.805 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -87.71 11.23 15.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.268 . . . . 0.0 111.443 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 55.0 m-85 -144.13 34.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 11.3 mm -134.15 148.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.84 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -148.55 112.4 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.04 144.64 53.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 168.28 9.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.83 85.04 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.33 -163.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.15 156.27 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.163 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 m -120.45 33.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -119.92 75.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.445 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 t 43.22 90.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.28 -52.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.402 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -140.01 -174.53 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -128.46 134.84 26.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -87.79 24.75 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.737 2.291 . . . . 0.0 112.83 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 t 42.69 56.04 4.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.009 0.433 . . . . 0.0 111.48 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -63.11 170.6 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.29 31.56 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.67 148.74 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.81 39.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -136.43 -176.45 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' NE2' ' A' ' 37' ' ' HIS . 2.0 m-85 -114.13 179.94 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.89 171.78 28.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.52 137.03 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.083 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.82 119.98 39.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.819 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 18.1 p90 -111.44 92.26 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.35 173.19 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -116.31 53.58 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.4 143.07 27.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.266 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -128.12 118.26 23.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.767 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.5 140.77 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -98.91 -20.18 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.005 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -170.89 17.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.412 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.19 64.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -32.05 69.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.72 174.16 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.27 129.85 24.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -60.91 126.09 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 130.3 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -125.45 153.89 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 27.3 mt -68.65 137.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.9 76.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.72 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.24 134.88 37.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.781 0.324 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 m -91.93 142.37 27.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' CG2' ' CE2' ' A' ' 60' ' ' PHE . 28.6 m -133.71 144.79 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.705 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.448 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 36.7 m170 -98.06 108.31 20.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.05 114.55 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.321 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tt -95.34 -38.57 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.653 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.3 mt-10 -138.18 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.503 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 11.5 t -133.91 -175.21 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.023 0.439 . . . . 0.0 111.342 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -176.62 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -166.27 -65.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.452 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.58 32.12 3.26 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.764 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.632 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -161.13 103.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.451 ' CD1' ' HA ' ' A' ' 41' ' ' THR . 4.1 m-30 -119.4 153.39 35.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.424 . . . . 0.0 111.419 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.77 129.96 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.479 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.02 -165.83 16.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.64 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -139.69 129.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.338 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.77 15.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -137.15 91.42 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -74.74 -31.47 61.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -58.57 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -71.69 128.52 36.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.95 161.74 14.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.55 -173.09 35.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.586 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.3 pt -132.74 155.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 65' ' ' ILE . 6.6 p90 -151.17 144.15 16.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.455 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 13.1 Cg_exo -69.54 145.9 59.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.627 2.218 . . . . 0.0 112.037 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.02 58.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.69 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.2 p -52.39 -23.44 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 50.5 p90 -139.34 40.02 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 60' ' ' PHE . 33.2 mm -113.06 130.39 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -133.47 112.74 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.83 138.94 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -79.12 -176.22 5.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -85.14 5.19 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.516 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.93 80.58 0.22 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.833 0.349 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.78 123.37 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.0 121.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.87 84.65 3.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.521 179.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p -156.63 143.71 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.4 mtt85 -58.68 98.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -92.53 172.8 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 43.5 t -124.56 140.91 36.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 96.2 Cg_endo -79.69 23.21 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.491 2.127 . . . . 0.0 113.026 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.7 t 43.02 71.6 0.22 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.831 0.348 . . . . 0.0 111.674 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 82.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.735 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -82.87 -46.42 13.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.987 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 45.16 41.0 5.38 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -144.98 151.54 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.14 179.82 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.656 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.49 179.15 37.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.577 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.72 154.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.52 109.81 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.257 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 11.3 p90 -96.95 92.54 6.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.617 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t80 -161.35 163.97 30.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -109.52 52.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.377 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -77.81 141.0 39.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -132.16 97.2 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.662 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.0 126.26 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.326 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -99.66 29.23 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.46 166.09 27.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.86 69.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.252 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -46.37 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.15 157.19 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 6.6 tt -114.9 134.34 55.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -65.23 144.02 57.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.81 126.25 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.34 152.63 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.99 132.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.59 78.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.811 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.21 145.24 25.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 m -94.58 152.18 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 17.3 m -140.17 137.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 111.52 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.26 109.57 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.03 126.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -108.59 -24.08 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 2.5 mt-10 -136.56 159.62 41.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 t -148.49 158.39 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 46.0 t80 -165.4 30.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 61.65 99.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.25 31.28 66.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.203 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.648 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.38 94.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.755 0.312 . . . . 0.0 110.284 -179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 62' ' ' ALA . 1.6 m-85 -119.61 157.06 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.334 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -121.27 151.58 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.22 -150.35 12.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.596 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -153.91 150.41 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.87 158.73 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.22 -30.51 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 92.76 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.06 -32.93 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -63.49 -37.06 85.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.46 124.59 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -119.92 140.17 51.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.497 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -164.63 -176.45 36.38 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.493 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -124.07 155.14 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.001 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.453 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 5.1 p90 -147.56 156.77 45.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.97 141.48 33.21 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.605 2.203 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.57 -10.27 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.878 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -87.18 11.34 14.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.604 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.502 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 29.1 m-85 -144.76 33.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.453 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 18.2 mm -130.28 160.39 41.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -142.08 112.42 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.63 123.51 21.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.6 -172.56 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.34 95.35 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.88 95.09 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mt 64.03 158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.78 109.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -123.7 84.9 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.403 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.855 0.36 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 t -160.36 97.97 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 116.13 25.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 6.5 m95 -69.93 120.87 16.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' CG2' HG23 ' A' ' 41' ' ' THR . 1.7 m -65.69 160.04 64.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 5' ' ' VAL . 18.6 Cg_endo -58.24 -84.1 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.841 2.361 . . . . 0.0 112.793 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 41' ' ' THR . 0.2 OUTLIER 46.69 45.05 14.39 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 111.21 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -112.16 154.52 25.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.08 34.73 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.85 95.32 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 -72.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.97 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.52 179.19 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.829 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.26 -176.4 14.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.4 t -114.89 145.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.87 131.83 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.67 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 17.1 p90 -118.8 92.46 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 111.02 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.495 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.53 172.73 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 179.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -120.02 60.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.21 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -105.44 136.49 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.244 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -118.37 119.99 36.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.75 120.67 12.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -76.26 -22.04 55.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.56 -169.6 18.75 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.79 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.669 0.271 . . . . 0.0 111.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.32 -35.32 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.82 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 3.5 tp -132.89 129.57 38.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -70.55 108.94 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.4 128.93 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -123.3 147.73 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.548 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 21.6 mt -60.28 128.89 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.192 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.78 -0.89 63.14 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.37 144.76 25.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.871 0.367 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 m -98.39 151.03 20.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.385 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.94 137.12 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.955 0.407 . . . . 0.0 111.795 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -99.44 108.86 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.18 130.53 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.846 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 3.9 pp -111.03 -38.49 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -119.62 161.0 21.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.966 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.455 HG22 ' CE1' ' A' ' 46' ' ' TYR . 15.1 m -155.03 162.75 40.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.979 0.418 . . . . 0.0 111.31 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.416 ' N ' ' CG2' ' A' ' 41' ' ' THR . 71.6 t80 -162.98 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.585 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -178.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.46 28.23 72.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.384 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.674 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -168.42 95.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 m-85 -119.8 158.35 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.339 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 6.5 mmt85 -106.69 146.24 31.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.275 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.76 -174.52 45.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -136.44 144.56 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 110.807 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.02 147.49 48.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -54.76 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -118.12 93.0 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -74.58 -25.05 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -65.18 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.13 146.84 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 158.12 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -179.56 -173.89 45.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 13.2 pt -115.9 160.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 111.483 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.441 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 p90 -156.24 148.72 17.82 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 6.7 Cg_exo -73.68 135.97 22.61 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.397 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.74 -10.12 58.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.674 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -50.76 -25.05 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 52.6 p90 -134.42 42.67 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 31.0 mm -119.93 136.32 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 111.211 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -133.96 112.48 11.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.802 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.0 123.03 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -105.77 162.79 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.58 -74.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.63 85.66 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.5 115.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.79 116.33 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.63 98.65 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.526 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.809 0.337 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -114.83 145.11 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -122.24 76.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' NE1' ' CG ' ' A' ' 42' ' ' TYR . 38.3 t90 -152.93 29.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 7.5 p -128.7 89.17 49.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.594 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' A' ' 41' ' ' THR . 68.6 Cg_endo -87.32 -17.2 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.069 2.513 . . . . 0.0 112.428 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 t -45.92 117.8 1.63 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.374 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.02 145.46 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.55 31.59 0.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.425 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.38 172.94 8.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -168.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -62.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.42 165.78 26.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.771 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.99 -153.47 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.87 150.27 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.26 102.9 7.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.9 p90 -97.26 92.38 5.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.771 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.23 174.13 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.903 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -114.42 52.5 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -79.84 138.52 37.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -129.72 96.82 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.09 149.61 15.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 29.58 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.5 176.56 41.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.28 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.302 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -14.81 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.5 141.57 49.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.016 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.484 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 6.2 tt -112.14 133.97 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -67.31 150.31 49.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.199 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 60' ' ' PHE . 12.4 mt -140.72 130.04 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.703 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -119.21 160.05 22.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 42.8 mt -71.67 132.12 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 -3.32 66.56 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.635 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -91.95 161.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.495 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.6 m -142.27 137.19 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.588 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -105.93 108.52 20.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.158 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mt -85.02 130.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.74 -33.54 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.549 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -131.87 143.2 50.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.423 HG23 ' CD1' ' A' ' 46' ' ' TYR . 3.1 p -129.16 -179.52 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 4.2 t80 178.15 36.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 56.86 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.781 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.58 35.54 81.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.046 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.633 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.84 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -119.74 146.99 45.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 111.205 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -104.51 151.47 23.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.607 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.02 -159.94 33.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.602 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -147.1 152.25 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.23 154.36 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.98 -31.13 69.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -69.37 -60.77 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 86.31 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.96 -30.53 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m -64.5 -50.7 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 147.74 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.07 148.21 44.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -168.1 -177.71 39.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.484 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.8 pt -117.55 155.06 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.6 p90 -149.29 151.83 34.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 95.2 Cg_endo -80.37 141.83 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.626 2.217 . . . . 0.0 112.343 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.07 -9.77 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -49.24 -25.27 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 42.0 p90 -136.45 29.77 2.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.773 0.321 . . . . 0.0 111.836 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.4 mm -107.7 132.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 111.187 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -135.85 114.68 12.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.45 146.76 52.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.06 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -108.09 -172.42 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.29 96.26 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.88 112.99 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.92 123.64 59.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.7 151.31 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.66 126.3 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.623 0.249 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 p -96.94 32.91 2.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.718 0.294 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -92.21 51.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.407 . . . . 0.0 110.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -178.2 -171.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.627 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.419 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 40.6 t -95.0 137.53 22.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.711 0.291 . . . . 0.0 111.269 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 61.1 Cg_endo -71.51 146.47 49.83 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.551 2.167 . . . . 0.0 112.218 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.417 ' CG2' ' CA ' ' A' ' 40' ' ' GLU . 5.2 p -86.67 55.68 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -83.31 -179.0 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.09 31.39 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -129.21 -179.8 5.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -119.75 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.56 -75.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.27 177.96 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 178.35 18.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.8 t -108.48 142.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.22 105.3 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.9 p90 -100.7 92.15 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.824 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.76 175.8 11.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.016 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -116.95 57.31 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.104 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -85.48 146.29 27.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.1 115.6 15.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.731 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.88 133.28 54.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.33 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.95 41.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.15 -166.87 21.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.372 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.78 70.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.26 -33.8 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.51 163.18 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -126.94 128.69 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.66 143.01 57.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.81 139.13 48.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.641 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -131.31 164.35 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 18.9 mt -71.51 134.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -7.41 61.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.33 143.83 26.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 111.065 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.9 m -102.63 134.99 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.01 141.27 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -97.96 108.36 21.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.1 112.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -95.57 -27.56 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.639 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.533 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.4 mt-10 -144.32 158.71 43.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 HG22 ' CG2' ' A' ' 7' ' ' THR . 34.1 p -132.51 169.4 16.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 46.7 t80 -178.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.303 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 51.95 94.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 28.96 66.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.902 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.633 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -171.34 92.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.25 147.1 44.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.463 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -113.01 123.8 51.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.352 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.12 -176.3 26.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.695 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -124.13 140.35 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.33 147.95 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.96 -30.83 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -80.58 -45.2 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.08 83.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -74.13 -31.56 62.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -71.78 -42.03 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -82.73 118.24 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -109.31 152.04 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.54 -168.53 21.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.583 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.482 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 6.2 pt -129.91 155.02 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -155.51 152.83 25.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.1 Cg_endo -79.88 146.3 18.39 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -69.22 -9.65 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.857 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -49.31 -24.82 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.2 p90 -138.96 34.63 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.462 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.2 mm -112.36 130.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -126.24 132.8 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.57 117.84 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -74.51 179.07 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.59 108.36 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.35 96.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.26 124.94 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.73 121.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.06 173.53 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.264 -1.298 . . . . 0.0 112.524 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p 55.71 29.82 14.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -97.89 -168.25 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.424 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 3.6 t90 -95.06 20.27 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 t -127.38 89.28 51.82 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.724 0.297 . . . . 0.0 111.375 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.63 -52.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.401 2.734 . . . . 0.0 112.139 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -44.12 119.23 1.71 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 166.19 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 60.48 30.3 19.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.85 123.0 43.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.66 36.58 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.92 175.59 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -129.67 179.37 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.77 -157.18 7.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.1 t -131.29 154.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.65 108.37 9.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 29.8 p90 -101.85 92.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.0 110.997 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.51 174.84 12.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.023 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -120.43 63.8 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.371 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.88 141.7 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.133 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.7 151.26 32.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.71 131.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.255 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -103.07 29.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.39 176.64 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.272 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.18 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -42.81 91.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -104.27 -176.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.73 129.7 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 p -72.2 113.44 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.485 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 60' ' ' PHE . 8.8 mt -110.58 133.9 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.243 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -127.5 156.12 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 22.5 mt -66.26 131.82 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.81 -1.99 63.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.768 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.4 140.12 30.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -91.94 144.79 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.094 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.55 140.37 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 111.875 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -106.84 108.98 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.164 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.16 128.69 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.704 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 pp -110.51 -33.96 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.178 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 4.1 mt-10 -123.58 166.56 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.9 p -161.49 -179.18 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.196 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.1 t80 179.25 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.638 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 177.04 102.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.57 24.88 60.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.651 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.644 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -160.98 92.05 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -119.69 166.55 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 111.337 -179.05 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 20.7 ttt180 -122.38 154.39 37.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.36 -164.23 33.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -153.58 134.18 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.1 p -65.49 143.74 57.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.51 -29.47 66.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -33.44 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -126.52 67.59 1.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -65.83 -28.22 68.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -65.94 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.91 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -126.52 171.13 11.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.83 -163.6 30.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.483 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 7.4 pt -118.53 155.07 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.466 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -149.28 151.05 33.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 71.8 Cg_endo -77.29 140.51 19.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 0.0 112.396 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.28 -9.69 54.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -49.33 -24.81 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 26.8 p90 -136.78 25.28 3.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.932 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.5 mm -99.3 134.45 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -135.01 112.37 10.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.82 146.66 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -119.99 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.27 109.39 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.16 103.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.91 148.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 m -105.02 118.24 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.14 127.97 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.499 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -87.94 102.43 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.63 151.43 23.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.498 ' CD1' ' CD2' ' A' ' 42' ' ' TYR . 3.7 t90 -109.47 27.58 9.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.87 88.71 53.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 111.606 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HG2' ' OG1' ' A' ' 41' ' ' THR . 86.8 Cg_endo -90.09 -20.02 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.925 2.416 . . . . 0.0 112.475 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.41 ' HB ' ' OG1' ' A' ' 41' ' ' THR . 3.9 t -62.7 120.21 10.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.749 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 92.79 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 62.46 148.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -174.97 125.23 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.68 -36.76 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.09 150.03 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.004 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -104.3 169.06 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.23 -172.61 14.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.7 150.13 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.87 105.34 8.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.499 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.4 p90 -99.52 92.17 5.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.67 174.97 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -115.11 51.14 0.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.185 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -78.17 136.41 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.308 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -125.81 105.0 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.88 157.22 22.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -130.72 28.82 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.29 -174.8 38.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.394 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.62 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.47 -31.66 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -120.44 165.04 15.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.5 tt -132.24 131.84 42.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.2 p -65.32 128.48 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 60' ' ' PHE . 4.6 mt -119.14 130.98 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.48 159.34 26.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 38.4 mt -70.86 136.28 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.22 -2.64 78.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.728 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.27 147.85 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.347 . . . . 0.0 111.213 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 HG21 ' CD1' ' A' ' 13' ' ' TYR . 5.5 m -97.42 153.63 17.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.322 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.9 m -142.19 137.16 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.001 0.429 . . . . 0.0 111.771 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -99.4 108.36 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.218 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mt -78.78 130.29 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.756 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.34 -39.94 4.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.078 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 10.4 mt-10 -116.39 166.65 11.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.059 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 46' ' ' TYR . 10.9 p -153.98 176.46 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.8 OUTLIER 176.46 35.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 54.6 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.89 33.94 59.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.967 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.565 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -178.48 86.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -119.7 155.55 32.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.965 0.412 . . . . 0.0 111.37 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' CB ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -112.56 149.18 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.696 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.53 -176.72 46.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -130.45 132.51 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.9 157.94 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.01 -31.11 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -71.39 -36.46 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 99.83 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -32.08 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 p -69.1 -29.05 67.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -86.47 137.35 32.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -128.43 156.45 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.761 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -173.36 174.89 46.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.504 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 1.7 pt -117.8 155.05 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -155.48 153.87 27.28 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 Cg_exo -73.92 140.87 29.29 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.796 2.331 . . . . 0.0 111.953 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.46 -10.13 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.64 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -49.69 -26.31 3.65 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.704 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 50.6 p90 -135.72 41.55 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.298 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.495 HG13 ' CE1' ' A' ' 60' ' ' PHE . 38.6 mm -123.17 134.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.086 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -137.32 113.53 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.47 130.14 36.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -115.08 -167.75 1.28 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.61 -153.14 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.433 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.93 -178.0 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.945 0.403 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -123.01 83.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.9 m -99.94 98.94 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.209 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.97 133.19 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.469 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.737 0.303 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 92.62 3.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 166.95 20.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.497 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.3 111.5 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 m -58.63 131.31 85.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.336 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.05 169.32 20.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.132 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.85 87.43 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.838 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -108.83 -178.78 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 62.88 61.14 1.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -150.15 -58.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 55.12 29.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.95 142.46 28.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.3 OUTLIER -103.25 177.03 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 175.72 21.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.551 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 t -98.8 146.5 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.28 106.71 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -94.11 92.08 7.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 0.0 110.511 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -161.66 159.02 26.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.122 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -107.0 58.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.083 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.58 134.69 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.412 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -121.91 109.36 14.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.02 128.59 36.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.335 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -77.88 -26.33 49.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.36 -159.0 9.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.84 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.308 . . . . 0.0 111.241 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -36.63 70.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 157.02 35.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.4 tt -113.46 135.02 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.25 137.9 51.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mt -119.85 130.0 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.637 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -119.46 145.86 45.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.67 125.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -2.13 58.7 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.732 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.32 143.34 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 13' ' ' TYR . 2.7 m -94.74 154.25 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 m -142.13 138.62 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.508 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -97.91 108.54 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.36 133.69 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.732 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pp -123.9 -36.75 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.658 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -122.4 151.1 41.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 9.4 t -139.18 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.439 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 52.7 t80 -177.33 36.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.192 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.42 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.615 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.31 36.45 93.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.854 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.605 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -176.65 91.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.472 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.67 147.08 44.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.92 0.391 . . . . 0.0 111.215 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -107.14 144.19 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.71 37.45 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -132.43 139.06 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.74 149.35 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.32 -30.8 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -73.46 -67.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -97.89 79.82 2.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -30.66 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 m -59.33 -31.14 68.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.09 151.92 21.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -136.12 153.9 51.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -170.13 -165.34 27.34 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.4 pt -134.1 166.05 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 3.3 p90 -159.93 159.0 27.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.8 140.35 31.98 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.968 2.446 . . . . 0.0 112.091 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.82 60.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.792 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.31 11.43 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.44 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -143.24 33.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 14.8 mm -128.28 161.38 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.927 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -148.54 112.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.11 119.31 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -112.66 -178.83 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.75 101.19 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . . . -60.47 112.54 2.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.33 128.75 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 m -117.66 86.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -140.25 84.29 1.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.474 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.742 0.305 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -118.47 27.07 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -40.07 77.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.688 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.433 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 63.07 173.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.214 179.742 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 16.5 t -109.2 140.48 22.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.446 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 84.8 Cg_endo -82.35 28.54 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.549 2.166 . . . . 0.0 113.208 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' HB ' ' CG2' ' A' ' 41' ' ' THR . 1.9 t 42.72 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 111.96 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -132.28 82.4 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.583 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.89 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.16 -174.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.89 173.41 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -71.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 37' ' ' HIS . 2.6 p90 -136.57 167.74 20.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.831 0.348 . . . . 0.0 111.074 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.9 -150.31 5.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.31 143.61 40.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.05 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.53 114.23 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.3 p90 -106.94 92.26 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.507 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -161.59 176.79 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.962 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -117.68 54.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.96 140.38 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.499 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -128.48 102.35 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 164.8 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.396 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 28.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 178.42 42.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.17 64.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -30.33 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 163.63 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.979 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . 7.1 tt -135.6 136.51 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -68.05 137.43 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 60' ' ' PHE . 5.1 mt -129.21 137.39 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.67 159.7 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 8.6 mt -67.17 136.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.227 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 -3.36 79.83 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.721 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.36 139.97 30.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 m -92.15 145.47 24.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.491 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.51 137.49 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 26.0 t-80 -103.86 114.04 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 46' ' ' TYR . 3.3 mt -81.21 131.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.616 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -117.72 -22.39 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.997 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -133.41 150.38 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.487 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 13.7 t -153.67 179.24 9.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.246 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -178.22 -64.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -177.5 101.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.43 26.54 69.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.118 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.672 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -159.43 100.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 2.8 m-85 -119.64 147.11 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -114.46 148.58 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.518 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.51 -155.61 18.06 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.683 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -146.65 140.93 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.08 151.92 46.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.5 -30.75 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -78.94 -46.54 18.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -104.42 86.71 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -77.71 -33.33 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -70.11 -30.0 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.63 148.48 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -136.09 154.56 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.446 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -172.39 -175.75 40.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.596 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 45' ' ' TRP . 13.2 pt -124.02 155.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -151.55 149.43 24.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 73.2 Cg_endo -76.14 138.17 20.07 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -66.57 -9.72 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.914 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.42 -24.61 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 14.6 p90 -135.75 19.4 3.29 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.505 HG13 ' CE1' ' A' ' 60' ' ' PHE . 46.5 mm -94.5 144.88 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.228 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -139.69 112.45 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.67 133.91 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -177.35 6.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -77.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -177.26 105.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -135.33 146.45 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.052 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.74 179.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.63 141.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.477 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -86.04 -35.46 20.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -136.65 -44.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -68.23 161.83 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 21.5 t -88.06 139.35 30.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 90.4 Cg_endo -83.75 23.41 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.736 2.29 . . . . 0.0 113.025 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t 43.34 94.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.794 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -114.54 82.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.76 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 175.27 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.5 160.59 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -94.25 -55.04 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' HIS . 6.5 ttpt -157.43 -66.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -156.32 168.61 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.51 -156.22 7.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -125.69 146.44 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.23 106.77 12.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.3 p90 -101.62 92.19 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.35 175.89 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.032 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.95 60.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -101.31 144.88 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.04 154.34 36.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.16 167.16 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -133.58 29.81 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.65 -171.11 26.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.366 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.0 68.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.13 -31.82 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.19 170.65 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 7.7 tt -139.79 134.22 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 p -73.75 139.73 45.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.174 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 60' ' ' PHE . 2.2 mt -129.76 137.44 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -130.23 163.8 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 13.3 mt -69.75 134.43 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.85 -5.85 64.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.815 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.28 149.24 21.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 m -102.88 146.6 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.04 140.48 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.577 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.5 t-160 -103.15 111.88 24.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.508 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.13 121.62 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.41 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -110.83 -24.61 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.794 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.4 mt-10 -131.94 151.14 51.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.405 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 15.2 t -148.61 -179.7 7.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -177.69 -65.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 179.87 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.05 28.29 60.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.002 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.636 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -164.36 99.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' HB1' ' A' ' 62' ' ' ALA . 2.6 m-85 -119.74 160.9 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.48 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -122.08 130.16 53.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.57 -163.54 13.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.618 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -142.75 125.8 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.9 147.47 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.59 -30.57 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -75.62 -33.26 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -118.38 81.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -71.78 -31.36 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.99 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -77.34 -40.87 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 136.07 36.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -123.15 150.95 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -165.15 -171.79 31.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.69 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 3.6 pt -128.85 155.04 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.483 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -149.93 154.52 37.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.6 Cg_endo -77.78 138.9 17.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.461 2.107 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 46' ' ' TYR . . . -67.81 -9.72 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.913 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -49.37 -24.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 40.2 p90 -137.35 24.18 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.483 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.6 mm -99.9 132.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.166 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -131.18 121.12 24.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.2 135.61 42.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -109.62 -175.92 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.89 55.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.89 53.3 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.87 176.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.91 54.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.17 85.23 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.467 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.898 0.38 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p -108.7 -48.59 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -151.94 -47.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.559 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 47' ' ' ARG . 2.0 t90 -119.59 -167.18 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG2' ' CE3' ' A' ' 4' ' ' TRP . 10.5 m -50.83 141.61 17.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -86.59 115.1 1.26 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.796 2.33 . . . . 0.0 112.389 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -98.47 121.94 41.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.641 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -60.63 178.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.4 85.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -100.35 -63.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 59.07 173.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 mttp 60.62 167.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 70' ' ' ALA . 2.2 p90 -114.2 166.03 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.36 -156.15 9.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.79 149.53 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.97 110.96 15.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.857 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 16.0 p90 -105.57 92.19 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.442 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.69 178.26 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.015 179.462 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -117.13 54.36 0.87 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.192 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.44 127.2 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.56 86.16 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.67 163.72 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -139.17 30.03 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.31 171.83 39.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.411 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.62 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.1 -32.27 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -104.1 -178.41 3.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.25 130.43 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -78.39 114.01 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.694 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -119.04 142.87 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.61 162.16 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.0 mt -68.64 133.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.28 -5.85 61.16 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.724 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -95.29 147.04 23.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 m -98.08 141.86 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.548 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -128.19 143.45 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -102.59 108.31 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.319 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -66.86 114.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.144 0.497 . . . . 0.0 111.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD2' ' HG2' ' A' ' 40' ' ' GLU . 6.0 tt -95.13 -48.34 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.548 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.642 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 4.7 mm-40 -132.45 155.43 48.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.95 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 46' ' ' TYR . 13.0 t -151.41 171.67 17.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' HG11 ' A' ' 5' ' ' VAL . 15.2 t80 -169.82 -66.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.703 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.97 100.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.64 80.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.224 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.629 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -172.0 88.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 110.337 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.642 ' HB3' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -119.56 147.0 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.096 -179.418 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -102.71 141.05 36.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.14 -165.2 20.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.588 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -149.03 127.49 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 165.47 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.1 -32.0 63.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -68.54 -50.84 48.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -120.22 75.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -67.23 -30.12 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.3 113.44 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -95.45 150.15 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.69 -175.57 31.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -123.68 155.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.261 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.0 p90 -149.03 151.24 34.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.018 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.452 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 7.6 Cg_exo -72.39 143.01 38.09 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.842 2.361 . . . . 0.0 112.419 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.473 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.66 -10.07 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.884 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.9 p -52.36 -22.67 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 51.6 p90 -139.35 41.74 2.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG13 ' CE1' ' A' ' 60' ' ' PHE . 23.8 mm -118.37 130.81 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.968 0.414 . . . . 0.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -140.64 114.56 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.85 144.62 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.87 168.87 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.72 94.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . . . -70.4 113.7 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pt -62.74 137.76 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.1 t -115.17 85.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.032 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 60.37 98.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.487 -1.174 . . . . 0.0 112.429 -179.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mtt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.856 0.36 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 p -60.01 143.54 51.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.31 -46.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 13.3 t90 -122.99 26.47 8.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 5' ' ' VAL . 8.7 p -130.28 88.66 47.1 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.551 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.37 -12.29 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.205 2.603 . . . . 0.0 112.52 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 t -67.38 93.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.249 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 82.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.36 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 4.0 tmm_? 69.85 -71.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 63.19 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.349 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.8 tt0 -167.09 170.31 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 37' ' ' HIS . 2.7 tttp -66.94 -76.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 172.86 13.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.59 -156.6 6.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.9 t -123.65 154.71 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.02 117.59 21.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.9 p90 -107.97 92.67 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.984 0.421 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -160.94 173.32 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -120.08 61.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.395 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -98.14 134.5 41.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.037 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.16 115.7 24.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.45 159.24 34.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.317 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -106.86 -28.34 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.4 -161.77 10.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.432 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.03 -27.87 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.5 -35.25 69.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.016 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -176.57 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -141.93 134.29 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.39 110.16 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.39 136.54 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -131.58 154.55 48.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.2 mt -66.57 133.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.64 -2.88 67.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.631 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.3 143.19 26.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.7 m -93.59 136.16 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.406 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 m -121.81 137.2 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.626 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' LYS . 2.1 t-80 -101.39 108.14 19.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.91 138.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.436 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.37 -45.54 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.444 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 3.0 mt-10 -133.33 156.71 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.288 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 46' ' ' TYR . 71.0 p -138.73 175.62 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.383 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -179.09 37.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.12 100.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.28 88.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.042 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.652 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -172.82 91.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.633 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -119.64 147.06 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 111.528 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -109.02 138.26 45.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.477 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.85 179.92 44.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.635 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -123.36 146.87 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.99 159.32 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.11 -36.25 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -59.98 -32.46 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 91.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -67.78 -28.91 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -30.96 66.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.43 130.79 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 134.38 48.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' N ' ' CD1' ' A' ' 28' ' ' LEU . . . -158.47 -172.18 25.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.57 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.479 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 2.9 pt -118.7 154.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.001 0.429 . . . . 0.0 111.312 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.7 p90 -154.74 147.99 18.33 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 Cg_endo -77.93 141.97 19.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.42 2.08 . . . . 0.0 112.395 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . . . -69.68 -9.82 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.917 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.3 p -49.58 -24.68 2.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 22.9 p90 -132.94 18.71 4.14 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.442 HG13 ' CE1' ' A' ' 60' ' ' PHE . 50.6 mm -94.57 145.09 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 0.0 111.239 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -146.88 114.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.67 141.65 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.5 -177.05 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.98 93.16 9.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.59 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.93 156.96 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.0 p -76.86 119.8 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.59 145.26 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.567 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.777 0.322 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p 54.8 178.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.71 137.45 25.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.28 117.17 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.825 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 m -58.03 150.58 49.86 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.377 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -88.06 34.43 0.4 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.998 2.465 . . . . 0.0 112.611 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 t 42.82 92.35 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 111.5 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.0 168.08 9.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mpp_? 60.43 30.14 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.95 176.33 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -62.97 1.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.91 -62.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 70' ' ' ALA . 2.4 p90 -159.32 164.32 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.73 -175.85 14.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.619 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 150.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.06 112.98 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 10.0 p90 -103.29 92.21 4.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.611 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 24.1 t80 -161.56 163.62 30.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.05 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -111.45 57.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.39 132.95 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.284 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -122.06 95.68 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.627 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 144.46 53.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.238 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.82 27.95 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.761 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.96 -179.48 46.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.26 64.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.325 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.41 -40.31 86.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.04 165.61 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . 7.7 tt -131.7 135.03 46.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.5 m -65.74 129.56 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.21 135.92 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.611 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -130.52 148.0 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.31 140.61 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.91 -7.56 81.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.834 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.72 136.97 32.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 m -92.06 131.54 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.1 m -115.44 138.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.539 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -97.97 108.34 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.66 122.47 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.608 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -114.82 -25.8 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.4 149.78 52.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.617 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 8.8 t -155.28 179.7 8.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.104 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -177.83 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 179.02 102.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.6 30.46 74.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.976 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.668 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -165.83 99.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.471 ' CE2' ' CB ' ' A' ' 62' ' ' ALA . 3.5 m-85 -119.63 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.947 0.403 . . . . 0.0 111.416 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -117.43 144.13 45.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.262 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.72 -157.23 16.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.686 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.46 141.79 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 p -76.0 157.46 33.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.46 -30.56 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.93 -65.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 101.09 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -75.57 -33.08 60.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -30.6 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 119.51 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -119.37 153.61 34.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -174.75 -177.82 44.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.594 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CD1' ' CZ2' ' A' ' 45' ' ' TRP . 13.4 pt -114.61 155.11 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CD1' ' CD1' ' A' ' 65' ' ' ILE . 3.2 p90 -147.95 156.11 44.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.244 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.6 Cg_exo -63.81 142.4 82.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.645 2.23 . . . . 0.0 111.832 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.471 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . . . -70.43 -41.74 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.697 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -57.13 -23.42 47.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.479 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 35.9 m-85 -104.24 38.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.047 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' CD1' ' CD1' ' A' ' 60' ' ' PHE . 15.7 mm -139.41 158.08 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -148.64 112.5 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.13 131.73 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.63 177.63 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.92 -58.16 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . . . 62.24 119.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mt 64.21 117.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.89 108.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 60.06 173.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.551 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -148.69 -151.32 5.43 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.03 148.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.36 113.31 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.802 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 22.2 p90 -107.0 92.24 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.016 0.436 . . . . 0.0 110.944 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.65 177.65 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -117.25 53.05 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.04 134.43 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.428 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.86 89.73 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.87 137.34 56.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.332 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -116.98 29.41 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.57 169.45 38.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.29 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.89 -36.64 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.29 -178.19 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.62 132.34 15.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -72.63 120.43 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 HG11 ' A' ' 36' ' ' VAL . 7.0 mt -120.84 137.45 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.77 158.18 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 11.5 mt -67.66 135.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.45 -4.78 64.52 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.724 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.31 150.21 20.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.915 0.388 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' GLY . 46.3 m -104.41 139.84 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.346 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.816 HG11 HD21 ' A' ' 30' ' ' LEU . 29.4 m -129.53 138.0 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.657 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -100.28 108.43 20.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.853 HD12 HD21 ' A' ' 67' ' ' LEU . 3.7 mt -76.69 128.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.601 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.746 HD12 ' HG2' ' A' ' 40' ' ' GLU . 3.8 pp -112.44 -29.96 7.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.593 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.746 ' HG2' HD12 ' A' ' 39' ' ' LEU . 14.6 mm-40 -129.95 165.33 22.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.491 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t -157.15 166.79 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -174.92 34.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.33 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 65.61 102.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.018 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 37.4 94.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.223 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.865 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.45 92.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.9 m-85 -119.33 159.33 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.056 0.455 . . . . 0.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 9.8 ttt180 -123.14 150.79 42.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.691 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 175.78 -152.86 13.68 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.629 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -154.66 145.26 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -69.83 148.37 49.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 HG22 ' A' ' 35' ' ' THR . 4.4 mm? -57.6 -29.39 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -116.93 78.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -77.08 -30.33 55.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -68.16 -30.9 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 146.16 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.91 143.95 41.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.708 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -166.99 -179.88 40.32 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.552 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.865 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 8.0 pt -111.87 161.58 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.368 . . . . 0.0 111.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.9 p90 -157.4 149.87 17.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 12.2 Cg_exo -70.15 135.28 29.14 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.728 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.5 -10.13 58.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.654 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -51.01 -24.7 3.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.881 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' HE1' HD13 ' A' ' 30' ' ' LEU . 49.3 p90 -132.19 28.01 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.4 mm -107.97 134.94 48.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.021 0.439 . . . . 0.0 111.26 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -135.83 112.33 9.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.692 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.853 HD21 HD12 ' A' ' 38' ' ' ILE . 18.7 mt -72.43 139.13 47.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.833 0.349 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.633 ' O ' HG23 ' A' ' 35' ' ' THR . . . -137.9 -165.4 10.34 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 68' ' ' LYS . 47.5 t -120.52 148.64 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -126.52 116.96 21.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.3 p90 -109.28 92.4 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.55 173.39 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.966 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -113.96 49.88 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.152 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -77.11 139.5 40.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.329 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -135.04 103.84 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 137.12 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.335 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -92.46 -22.27 19.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.37 177.02 18.55 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.96 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.55 -34.64 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -173.33 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 53' ' ' LYS . 4.5 tt -151.08 126.47 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -64.75 128.05 34.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -110.56 134.73 52.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.725 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.86 156.47 42.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.7 mt -69.26 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 -4.66 86.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -95.31 144.8 25.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 14' ' ' GLY . 88.8 m -99.8 130.17 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 30' ' ' LEU . 5.1 m -114.73 138.99 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.454 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -97.91 108.35 21.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 67' ' ' LEU . 3.0 mm -61.92 106.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -94.02 -31.04 14.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.7 142.32 28.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 t -144.55 -178.95 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 111.193 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -178.29 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.786 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -177.97 101.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 34.15 87.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.101 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.984 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.25 93.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.824 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 m-85 -119.68 146.99 45.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.013 0.435 . . . . 0.0 111.202 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.65 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.7 ttt180 -117.75 121.26 40.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 -163.43 9.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 49' ' ' TYR . 24.1 p90 -138.83 131.49 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.18 157.26 31.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.2 mm? -66.45 -30.64 71.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.7 mmt-85 -67.95 -52.75 32.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -118.46 80.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.991 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 51' ' ' LEU . 46.2 mttt -68.37 -31.48 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -31.47 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -91.88 153.64 19.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.42 149.46 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -159.0 175.41 35.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.984 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 9.1 pt -109.65 155.08 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.9 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CE1' HG13 ' A' ' 65' ' ' ILE . 8.3 p90 -157.72 144.12 12.96 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 7.8 Cg_exo -72.36 142.19 36.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.471 2.114 . . . . 0.0 111.95 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.824 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.55 -9.92 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.7 t -49.65 -25.06 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 46.7 p90 -134.33 26.19 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 60' ' ' PHE . 35.9 mm -105.68 136.25 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.106 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -141.62 112.38 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 38' ' ' ILE . 59.8 mt -68.04 139.62 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 15' ' ' VAL . 10.7 mmtm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.867 0.365 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.42 -157.14 8.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.388 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -127.19 149.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.98 108.48 12.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.3 p90 -102.41 92.3 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.42 174.79 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -120.13 57.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.245 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.36 145.58 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -134.26 115.59 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.53 153.95 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.97 30.55 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.31 176.3 41.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.9 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -30.51 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -113.64 171.56 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 53' ' ' LYS . 4.2 tp -138.84 137.11 36.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -73.85 146.52 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.1 mt -136.57 137.32 40.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -126.46 163.4 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 30.9 mt -72.74 136.42 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.8 -4.59 72.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.769 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.22 145.29 25.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 111.157 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -92.01 151.07 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.759 ' CG1' HD21 ' A' ' 30' ' ' LEU . 17.7 m -139.37 137.36 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.769 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -108.23 108.43 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.174 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD21 ' A' ' 67' ' ' LEU . 4.2 mt -78.94 131.16 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 pp -108.75 -20.87 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -138.68 151.3 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 t -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.887 0.375 . . . . 0.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -177.76 -68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 179.25 102.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.71 29.92 65.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.008 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -166.99 93.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.812 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.68 157.85 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CA ' HG22 ' A' ' 59' ' ' ILE . 21.7 ttm180 -116.59 133.57 55.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.654 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.65 -161.25 18.37 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.8 p90 -152.63 149.66 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.654 HG22 HG12 ' A' ' 36' ' ' VAL . 37.6 p -81.55 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 54' ' ' LYS . 2.3 mt -59.24 -28.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.29 94.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -137.7 82.24 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 51' ' ' LEU . 32.6 mttt -73.93 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.242 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -54.43 -39.64 67.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -96.98 149.82 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.38 152.92 49.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.835 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -167.31 -172.85 34.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.778 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -125.2 156.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 30' ' ' LEU . 4.3 p90 -151.87 152.45 30.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 10.1 Cg_exo -70.98 140.7 38.65 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.692 2.261 . . . . 0.0 112.027 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.06 58.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.65 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -25.22 4.11 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 51.5 p90 -136.2 43.79 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.299 . . . . 0.0 111.679 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.427 HG13 ' CE1' ' A' ' 60' ' ' PHE . 22.8 mm -123.49 124.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.206 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.94 119.75 24.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -79.23 132.6 36.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -154.45 141.8 8.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.3 t -96.42 146.75 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -127.13 123.3 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -112.06 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.74 174.09 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.857 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -117.65 55.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.995 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -86.5 147.85 25.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.397 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.82 148.56 49.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -98.23 149.7 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 0.0 111.464 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.37 -20.12 13.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.66 -167.06 16.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.617 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.3 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.252 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -31.08 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.994 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.09 174.84 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 2.9 tt -146.99 133.51 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.526 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 15.1 t -63.8 122.23 15.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -105.1 137.78 42.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -132.93 156.66 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 7.0 mt -67.68 140.78 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -1.33 87.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.699 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.26 139.25 31.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 111.368 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' THR . 6.8 m -93.27 151.01 20.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.075 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 50' ' ' THR . 28.8 m -140.39 141.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.842 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -99.68 107.97 20.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.692 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.609 HD12 HD21 ' A' ' 67' ' ' LEU . 23.2 mt -71.9 108.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.611 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.601 HD13 ' C ' ' A' ' 39' ' ' LEU . 2.0 tm? -92.94 -42.07 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.336 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.3 mt-10 -123.92 166.47 15.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.529 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 46' ' ' TYR . 16.1 m -147.99 167.09 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.679 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 3.7 t80 -176.33 37.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 111.398 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 100.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.627 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.45 26.6 64.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.766 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 1.011 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -163.23 93.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.835 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.38 151.55 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.308 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -116.32 100.7 8.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.678 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.83 168.76 22.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.589 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -110.38 138.42 46.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -68.39 148.7 50.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.1 mm? -62.8 -37.67 87.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -30.14 63.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.542 ' NZ ' HD11 ' A' ' 28' ' ' LEU . 3.5 mtpm? -121.16 74.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 51' ' ' LEU . 26.5 mttp -80.85 -0.96 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -83.26 -31.04 27.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.131 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -121.63 154.29 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.215 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.07 155.36 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -151.77 -177.64 25.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.806 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.011 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 4.0 pt -126.47 154.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.662 0.268 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -159.95 152.94 18.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.0 Cg_endo -80.74 143.5 14.88 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.618 2.212 . . . . 0.0 112.249 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.835 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.82 -9.73 52.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.852 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -49.46 -25.07 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 36.8 p90 -134.31 25.47 3.82 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.435 HG13 ' CE1' ' A' ' 60' ' ' PHE . 43.8 mm -104.29 146.78 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.271 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.55 112.33 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD21 HD12 ' A' ' 38' ' ' ILE . 68.4 mt -68.28 140.03 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.731 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.91 168.98 24.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.84 144.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.769 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -122.91 103.78 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.22 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -93.35 92.34 7.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.427 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.496 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 16.7 t80 -161.38 166.01 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.863 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -113.82 52.14 0.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.455 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' HB3' ' CB ' ' A' ' 30' ' ' LEU . 3.2 t80 -78.28 142.48 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -138.99 86.64 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 150.11 23.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -107.74 -20.9 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.97 -176.82 14.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.43 -26.82 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.12 -30.58 62.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -121.99 174.05 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 29' ' ' SER . 6.7 tt -137.56 136.02 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.53 129.45 41.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB1' ' A' ' 16' ' ' ALA . 12.4 tp -116.43 126.38 53.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -117.69 153.26 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.67 133.58 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.87 -1.51 80.87 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.848 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.26 144.04 26.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.6 m -91.99 157.45 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 50' ' ' THR . 10.2 m -146.35 137.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.411 . . . . 0.0 111.655 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -98.02 109.66 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.364 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.75 134.58 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.65 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 40' ' ' GLU . 2.2 pp -121.18 -32.04 3.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.805 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.737 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.8 mm-40 -127.02 143.68 51.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.72 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -132.51 172.51 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 44.2 t80 -177.19 37.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.976 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 62.23 99.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.744 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.94 39.6 97.21 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.151 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.887 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.96 91.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.839 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.73 154.68 33.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' HB2' HG22 ' A' ' 59' ' ' ILE . 27.7 ttt180 -118.6 146.89 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.226 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.93 -160.67 24.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.743 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.1 p90 -136.45 139.59 42.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -69.87 154.68 41.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD21 ' CD2' ' A' ' 13' ' ' TYR . 3.6 mm? -63.99 -29.35 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -83.43 -48.85 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -102.58 81.89 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -68.99 -30.15 68.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -70.08 -54.28 13.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -67.69 138.38 56.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -137.94 145.13 41.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -163.4 -176.66 35.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.667 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.887 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.5 pt -109.77 155.16 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 65' ' ' ILE . 7.1 p90 -152.24 152.76 30.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 65' ' ' ILE . 60.6 Cg_endo -71.96 143.15 40.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.05 -26.82 64.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 m -61.04 -22.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.295 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 43.2 m-85 -114.81 41.23 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.211 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.1 mm -138.23 159.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.947 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 65' ' ' ILE . 26.7 t-80 -144.85 125.38 14.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 67' ' ' LEU . 1.4 mm? -76.68 123.77 26.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 p90 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.793 0.33 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.62 -162.29 9.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.506 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.606 HG21 ' HE3' ' A' ' 68' ' ' LYS . 27.3 t -117.09 143.4 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.55 114.27 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.7 p90 -108.15 92.42 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.766 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.36 173.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.897 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.83 61.05 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.205 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -98.25 141.03 31.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.241 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -127.35 112.91 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.74 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.47 151.96 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.04 -22.86 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.77 -171.97 15.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.28 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.87 -31.42 68.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.5 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 29' ' ' SER . 7.6 tt -143.97 134.13 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.751 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 t -65.89 139.08 58.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.756 HD21 HG11 ' A' ' 36' ' ' VAL . 4.3 mt -131.47 135.63 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -131.3 162.16 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 10.6 mt -69.57 138.22 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.17 71.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.77 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.26 149.39 21.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 111.028 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 14' ' ' GLY . 17.1 m -102.3 145.4 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.756 HG11 HD21 ' A' ' 30' ' ' LEU . 18.3 m -134.9 137.06 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.582 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.407 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 35.1 t-80 -99.02 108.18 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.3 mp -64.76 106.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.379 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' C ' HD23 ' A' ' 39' ' ' LEU . 8.5 tt -86.65 -28.32 23.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.1 151.0 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 10.5 t -130.83 172.67 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -176.88 33.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.4 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.023 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.11 33.88 69.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.325 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -180.0 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.852 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.4 m-85 -119.55 147.19 44.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.945 0.402 . . . . 0.0 111.457 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.498 ' HB2' HG22 ' A' ' 59' ' ' ILE . 10.0 ttt180 -112.91 126.76 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 37' ' ' HIS . . . -153.34 -165.34 13.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.818 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD1' ' HE3' ' A' ' 57' ' ' LYS . 26.5 p90 -135.29 127.09 29.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.688 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -61.45 145.11 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.36 -29.93 64.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -80.5 -39.26 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 75.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -76.07 -11.71 59.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.375 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -89.51 -30.18 18.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 152.65 19.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' HE2' HD13 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -130.27 158.53 39.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.716 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -169.77 -172.78 36.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.691 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -123.83 154.99 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.985 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.465 ' HB3' HD12 ' A' ' 30' ' ' LEU . 5.8 p90 -155.01 148.58 18.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.806 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 76.9 Cg_endo -78.15 142.91 19.68 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.57 2.18 . . . . 0.0 112.345 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.852 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.25 -9.7 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 m -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' HE1' HD13 ' A' ' 30' ' ' LEU . 36.0 p90 -135.86 27.54 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.6 mm -105.8 135.9 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -135.81 120.82 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.96 129.77 39.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.606 ' HE3' HG21 ' A' ' 15' ' ' VAL . 40.8 mttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.8 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' THR . . . -152.21 -154.05 6.5 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.602 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 68' ' ' LYS . 40.2 t -122.75 154.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 15' ' ' VAL . . . -129.64 105.51 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.62 92.33 6.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.651 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 19.4 t80 -161.41 164.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -112.17 55.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -81.95 146.65 29.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.238 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -132.6 98.08 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.516 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -55.38 121.77 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.404 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 27.57 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.71 169.07 26.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.27 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -59.15 -30.36 68.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.84 170.1 10.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.8 tt -130.39 133.64 46.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 67.7 m -67.19 143.04 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 36' ' ' VAL . 8.4 mt -130.87 136.98 49.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -124.84 154.47 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.2 mt -70.53 127.3 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.1 -9.64 59.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.39 146.16 27.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -91.9 149.24 21.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 30' ' ' LEU . 3.1 m -139.91 137.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.549 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -100.3 113.97 27.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.225 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' HZ ' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -78.62 120.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.333 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.5 pp -110.39 -18.8 13.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.38 157.04 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.439 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 14.1 t -157.71 -179.76 8.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -179.4 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.72 102.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.561 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 60.82 31.74 76.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.987 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.808 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -170.74 96.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.7 m-85 -119.53 166.93 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 111.169 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.567 ' CD ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -129.5 146.27 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.456 179.585 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.645 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . -175.62 -164.3 29.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.747 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -140.12 132.59 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -69.32 143.29 53.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.97 -30.77 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -42.35 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 87.36 2.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.11 -30.53 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.02 -39.75 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 134.22 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -137.9 137.78 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -161.48 -159.63 10.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.686 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.808 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -126.53 167.52 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HZ ' HD12 ' A' ' 38' ' ' ILE . 3.1 p90 -159.85 160.38 27.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.31 138.5 36.2 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.838 2.359 . . . . 0.0 112.198 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.69 -10.27 59.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.805 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -87.71 11.23 15.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.268 . . . . 0.0 111.443 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.537 ' O ' HD13 ' A' ' 65' ' ' ILE . 55.0 m-85 -144.13 34.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 64' ' ' TYR . 11.3 mm -134.15 148.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.84 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -148.55 112.4 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 51.2 mt -61.04 144.64 53.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.718 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' NE2' ' A' ' 37' ' ' HIS . 2.0 m-85 . . . . . 0 N--CA 1.46 0.059 0 CA-C-O 120.902 0.382 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' THR . . . -147.89 171.78 28.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 68' ' ' LYS . 39.4 t -123.52 137.03 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.083 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' ' HE1' ' A' ' 64' ' ' TYR . . . -113.82 119.98 39.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.819 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 18.1 p90 -111.44 92.26 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.35 173.19 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -116.31 53.58 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.4 143.07 27.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.266 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -128.12 118.26 23.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.767 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.5 140.77 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -98.91 -20.18 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.005 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -170.89 17.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.412 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.19 64.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -32.05 69.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.72 174.16 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 53' ' ' LYS . 1.9 tt -140.27 129.85 24.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.483 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 3.1 m -60.91 126.09 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -109.71 130.3 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -125.45 153.89 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 27.3 mt -68.65 137.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.9 76.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.72 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.24 134.88 37.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.781 0.324 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 29.3 m -91.93 142.37 27.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.75 HG12 HG23 ' A' ' 50' ' ' THR . 28.6 m -133.71 144.79 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.705 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 36.7 m170 -98.06 108.31 20.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.05 114.55 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.321 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 39' ' ' LEU . 8.5 tt -95.34 -38.57 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.653 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.18 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.503 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 11.5 t -133.91 -175.21 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.023 0.439 . . . . 0.0 111.342 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -176.62 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -166.27 -65.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.452 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.58 32.12 3.26 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.764 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.801 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -161.13 103.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 4.1 m-30 -119.4 153.39 35.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.424 . . . . 0.0 111.419 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.667 ' CA ' HG22 ' A' ' 59' ' ' ILE . 3.4 ttt180 -118.77 129.96 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.479 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.02 -165.83 16.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.64 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -139.69 129.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.338 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.75 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -64.66 162.77 15.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 37' ' ' HIS . 4.0 mm? -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 9.9 mtp-105 -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 28' ' ' LEU . 31.7 pttt -137.15 91.42 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -74.74 -31.47 61.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -58.57 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -71.69 128.52 36.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.95 161.74 14.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -167.55 -173.09 35.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.586 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.801 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.3 pt -132.74 155.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CE2' HG21 ' A' ' 36' ' ' VAL . 6.6 p90 -151.17 144.15 16.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 13.1 Cg_exo -69.54 145.9 59.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.627 2.218 . . . . 0.0 112.037 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.02 58.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.69 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.2 p -52.39 -23.44 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 50.5 p90 -139.34 40.02 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.511 HD11 ' CD1' ' A' ' 60' ' ' PHE . 33.2 mm -113.06 130.39 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -133.47 112.74 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 67' ' ' LEU . 9.0 mp -58.83 138.94 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG2' HG23 ' A' ' 15' ' ' VAL . 2.4 mmtt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.735 0.303 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.49 179.15 37.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.577 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.6 t -94.72 154.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.813 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -130.52 109.81 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 11.3 p90 -96.95 92.54 6.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.617 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t80 -161.35 163.97 30.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -109.52 52.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.377 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -77.81 141.0 39.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -132.16 97.2 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.662 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.0 126.26 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.326 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -99.66 29.23 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.46 166.09 27.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.86 69.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.252 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -46.37 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.15 157.19 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 29' ' ' SER . 6.6 tt -114.9 134.34 55.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.586 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.4 t -65.23 144.02 57.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.741 HD21 ' HB1' ' A' ' 16' ' ' ALA . 9.5 tp -128.81 126.25 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.34 152.63 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.99 132.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.59 78.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.811 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.21 145.24 25.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.749 ' HB ' HD23 ' A' ' 51' ' ' LEU . 4.6 m -94.58 152.18 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -140.17 137.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 111.52 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.26 109.57 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.03 126.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.8 pp -108.59 -24.08 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -136.56 159.62 41.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 t -148.49 158.39 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 46.0 t80 -165.4 30.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 61.65 99.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.25 31.28 66.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.203 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.807 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.38 94.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.755 0.312 . . . . 0.0 110.284 -179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.6 m-85 -119.61 157.06 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.334 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' CA ' HG22 ' A' ' 59' ' ' ILE . 4.2 ttt180 -121.27 151.58 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.682 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.22 -150.35 12.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.596 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -153.91 150.41 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.491 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -74.87 158.73 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HB ' ' A' ' 35' ' ' THR . 4.6 mm? -66.22 -30.51 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 92.76 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.06 -32.93 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -63.49 -37.06 85.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.46 124.59 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -119.92 140.17 51.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.499 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -164.63 -176.45 36.38 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.493 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.807 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -124.07 155.14 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.001 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 65' ' ' ILE . 5.1 p90 -147.56 156.77 45.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.97 141.48 33.21 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.605 2.203 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.793 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.57 -10.27 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.878 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -87.18 11.34 14.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.604 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.502 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 29.1 m-85 -144.76 33.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' ' 60' ' ' PHE . 18.2 mm -130.28 160.39 41.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.501 ' N ' HG22 ' A' ' 65' ' ' ILE . 4.1 t60 -142.08 112.42 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.5 mm? -68.63 123.51 21.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' THR . . . -138.26 -176.4 14.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' HG3' ' A' ' 68' ' ' LYS . 41.4 t -114.89 145.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -121.87 131.83 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.67 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 17.1 p90 -118.8 92.46 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 111.02 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.509 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.53 172.73 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -120.02 60.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.21 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -105.44 136.49 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.244 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -118.37 119.99 36.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -63.75 120.67 12.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -76.26 -22.04 55.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.56 -169.6 18.75 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.79 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.669 0.271 . . . . 0.0 111.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.32 -35.32 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.82 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 3.5 tp -132.89 129.57 38.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 53.8 p -70.55 108.94 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.379 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -102.4 128.93 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -123.3 147.73 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.548 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 21.6 mt -60.28 128.89 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.192 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.78 -0.89 63.14 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.37 144.76 25.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.871 0.367 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -98.39 151.03 20.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.385 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 50' ' ' THR . 4.1 m -140.94 137.12 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.955 0.407 . . . . 0.0 111.795 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -99.44 108.86 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.18 130.53 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.846 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 40' ' ' GLU . 3.9 pp -111.03 -38.49 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -119.62 161.0 21.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.966 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.477 HG23 ' CE1' ' A' ' 46' ' ' TYR . 15.1 m -155.03 162.75 40.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.979 0.418 . . . . 0.0 111.31 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.416 ' N ' ' CG2' ' A' ' 41' ' ' THR . 71.6 t80 -162.98 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.585 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -178.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.46 28.23 72.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.384 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.698 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -168.42 95.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.833 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.2 m-85 -119.8 158.35 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.339 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.739 ' HG2' HG22 ' A' ' 59' ' ' ILE . 6.5 mmt85 -106.69 146.24 31.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.275 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.76 -174.52 45.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -136.44 144.56 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 110.807 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.468 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -71.02 147.49 48.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 13' ' ' TYR . 2.7 mm? -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -54.76 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -118.12 93.0 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -74.58 -25.05 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -65.18 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.13 146.84 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 158.12 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -179.56 -173.89 45.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.739 HG22 ' HG2' ' A' ' 47' ' ' ARG . 13.2 pt -115.9 160.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 111.483 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.466 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 p90 -156.24 148.72 17.82 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 6.7 Cg_exo -73.68 135.97 22.61 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.397 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.74 -10.12 58.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.674 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -50.76 -25.05 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 52.6 p90 -134.42 42.67 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 31.0 mm -119.93 136.32 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 111.211 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -133.96 112.48 11.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.802 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.0 123.03 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.692 ' HG3' HG23 ' A' ' 15' ' ' VAL . 4.2 mmpt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.898 0.38 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.99 -153.47 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.87 150.27 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -125.26 102.9 7.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.9 p90 -97.26 92.38 5.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.771 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.23 174.13 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.903 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -114.42 52.5 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -79.84 138.52 37.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -129.72 96.82 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.09 149.61 15.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 29.58 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.5 176.56 41.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.28 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.302 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -14.81 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -131.5 141.57 49.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.016 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 29' ' ' SER . 6.2 tt -112.14 133.97 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.603 ' O ' HD23 ' A' ' 28' ' ' LEU . 86.9 p -67.31 150.31 49.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.199 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.4 mt -140.72 130.04 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.703 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -119.21 160.05 22.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 42.8 mt -71.67 132.12 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 -3.32 66.56 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.635 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.825 ' O ' HG22 ' A' ' 50' ' ' THR . 1.2 m -91.95 161.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 30' ' ' LEU . 5.6 m -142.27 137.19 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.588 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -105.93 108.52 20.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.158 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mt -85.02 130.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.7 pp -118.74 -33.54 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.549 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.86 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -131.87 143.2 50.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.827 HG22 ' CG ' ' A' ' 46' ' ' TYR . 3.1 p -129.16 -179.52 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 t80 178.15 36.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 56.86 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.781 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.58 35.54 81.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.046 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.802 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.84 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.827 ' CG ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -119.74 146.99 45.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 111.205 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.532 ' CA ' HG22 ' A' ' 59' ' ' ILE . 30.3 ttt180 -104.51 151.47 23.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.607 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.02 -159.94 33.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.602 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -147.1 152.25 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -80.23 154.36 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.98 -31.13 69.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -69.37 -60.77 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 86.31 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.96 -30.53 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m -64.5 -50.7 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 147.74 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HE3' HD21 ' A' ' 39' ' ' LEU . 16.3 mtpt -138.07 148.21 44.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -168.1 -177.71 39.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.484 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.8 pt -117.55 155.06 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.6 p90 -149.29 151.83 34.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 95.2 Cg_endo -80.37 141.83 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.626 2.217 . . . . 0.0 112.343 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.07 -9.77 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -49.24 -25.27 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 42.0 p90 -136.45 29.77 2.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.773 0.321 . . . . 0.0 111.836 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.468 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.4 mm -107.7 132.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 111.187 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -135.85 114.68 12.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.45 146.76 52.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.06 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 178.35 18.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 68' ' ' LYS . 25.8 t -108.48 142.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.22 105.3 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.9 p90 -100.7 92.15 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.824 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.76 175.8 11.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.016 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.95 57.31 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.104 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -85.48 146.29 27.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.1 115.6 15.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.731 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.88 133.28 54.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.33 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.95 41.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.15 -166.87 21.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.372 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.78 70.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.26 -33.8 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.51 163.18 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 29' ' ' SER . 8.2 tt -126.94 128.69 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.66 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -65.66 143.01 57.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD21 ' CG1' ' A' ' 36' ' ' VAL . 4.7 mt -131.81 139.13 48.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.641 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -131.31 164.35 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 18.9 mt -71.51 134.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -7.41 61.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.33 143.83 26.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 111.065 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.9 m -102.63 134.99 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -124.01 141.27 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -97.96 108.36 21.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.7 mp -64.1 112.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.5 tm? -95.57 -27.56 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.639 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.4 mt-10 -144.32 158.71 43.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 34.1 p -132.51 169.4 16.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 46.7 t80 -178.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.303 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 51.95 94.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 28.96 66.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.902 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.855 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.34 92.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.849 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.25 147.1 44.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.463 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.1 ttm180 -113.01 123.8 51.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.352 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.12 -176.3 26.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.695 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -124.13 140.35 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -73.33 147.95 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.6 mm? -57.96 -30.83 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -80.58 -45.2 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.08 83.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -74.13 -31.56 62.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -71.78 -42.03 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -82.73 118.24 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -109.31 152.04 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.54 -168.53 21.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.583 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.855 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.2 pt -129.91 155.02 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -155.51 152.83 25.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.1 Cg_endo -79.88 146.3 18.39 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.22 -9.65 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.857 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -49.31 -24.82 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.2 p90 -138.96 34.63 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.2 mm -112.36 130.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -126.24 132.8 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.5 mm? -82.57 117.84 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 15' ' ' VAL . 6.4 mmtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.625 ' CE2' HD11 ' A' ' 51' ' ' LEU . 1.2 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 35' ' ' THR . . . -134.77 -157.18 7.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG23 ' HG3' ' A' ' 68' ' ' LYS . 45.1 t -131.29 154.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.18 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -130.65 108.37 9.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 29.8 p90 -101.85 92.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.0 110.997 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.51 174.84 12.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.023 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -120.43 63.8 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.371 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.88 141.7 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.133 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.7 151.26 32.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -96.71 131.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.255 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -103.07 29.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.39 176.64 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.272 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.18 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -42.81 91.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -104.27 -176.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -142.73 129.7 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.7 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 58.7 p -72.2 113.44 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HG11 ' A' ' 36' ' ' VAL . 8.8 mt -110.58 133.9 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.243 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -127.5 156.12 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 22.5 mt -66.26 131.82 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.81 -1.99 63.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.768 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.4 140.12 30.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' GLY . 21.7 m -91.94 144.79 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.094 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.835 HG11 HD21 ' A' ' 30' ' ' LEU . 15.8 m -134.55 140.37 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -106.84 108.98 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.164 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.16 128.69 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.704 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.7 pp -110.51 -33.96 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.178 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 41' ' ' THR . 4.1 mt-10 -123.58 166.56 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 40' ' ' GLU . 18.9 p -161.49 -179.18 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.196 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.1 t80 179.25 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.638 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 177.04 102.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.57 24.88 60.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.651 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.732 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -160.98 92.05 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.86 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -119.69 166.55 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 111.337 -179.05 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' ILE . 20.7 ttt180 -122.38 154.39 37.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.517 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 176.36 -164.23 33.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -153.58 134.18 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 36' ' ' VAL . 30.1 p -65.49 143.74 57.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 13' ' ' TYR . 2.1 mt -58.51 -29.47 66.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -33.44 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -126.52 67.59 1.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -65.83 -28.22 68.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -65.94 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.91 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -126.52 171.13 11.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' LEU . . . 179.83 -163.6 30.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 7.4 pt -118.53 155.07 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -149.28 151.05 33.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 71.8 Cg_endo -77.29 140.51 19.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 0.0 112.396 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.86 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.28 -9.69 54.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -49.33 -24.81 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HE1' HD13 ' A' ' 30' ' ' LEU . 26.8 p90 -136.78 25.28 3.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.932 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.5 mm -99.3 134.45 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -135.01 112.37 10.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.82 146.66 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HG3' HG23 ' A' ' 15' ' ' VAL . 9.4 mttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.799 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.23 -172.61 14.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.7 150.13 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -126.87 105.34 8.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.4 p90 -99.52 92.17 5.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.67 174.97 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -115.11 51.14 0.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.185 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -78.17 136.41 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.308 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -125.81 105.0 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.577 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -62.88 157.22 22.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -130.72 28.82 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.29 -174.8 38.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.394 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.62 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.47 -31.66 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -120.44 165.04 15.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.577 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.5 tt -132.24 131.84 42.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 92.2 p -65.32 128.48 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 36' ' ' VAL . 4.6 mt -119.14 130.98 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.48 159.34 26.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 38.4 mt -70.86 136.28 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.22 -2.64 78.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.728 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.27 147.85 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.347 . . . . 0.0 111.213 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 13' ' ' TYR . 5.5 m -97.42 153.63 17.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.322 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 30' ' ' LEU . 26.9 m -142.19 137.16 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.001 0.429 . . . . 0.0 111.771 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -99.4 108.36 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.218 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.659 HD12 HD21 ' A' ' 67' ' ' LEU . 9.9 mt -78.78 130.29 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.756 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 40' ' ' GLU . 4.1 pp -112.34 -39.94 4.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.078 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.561 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.4 mt-10 -116.39 166.65 11.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.059 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 46' ' ' TYR . 10.9 p -153.98 176.46 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 176.46 35.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 54.6 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.89 33.94 59.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.967 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.48 86.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.37 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -119.7 155.55 32.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.965 0.412 . . . . 0.0 111.37 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HG3' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -112.56 149.18 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.696 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.53 -176.72 46.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -130.45 132.51 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -60.9 157.94 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -68.01 -31.11 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -71.39 -36.46 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 99.83 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -32.08 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 p -69.1 -29.05 67.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -86.47 137.35 32.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -128.43 156.45 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.761 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -173.36 174.89 46.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 1.7 pt -117.8 155.05 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -155.48 153.87 27.28 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 Cg_exo -73.92 140.87 29.29 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.796 2.331 . . . . 0.0 111.953 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.46 -10.13 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.64 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -49.69 -26.31 3.65 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.704 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 50.6 p90 -135.72 41.55 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.298 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CE1' ' A' ' 60' ' ' PHE . 38.6 mm -123.17 134.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.086 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -137.32 113.53 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.659 HD21 HD12 ' A' ' 38' ' ' ILE . 17.4 mt -77.47 130.14 36.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.68 ' CE2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.78 0.324 . . . . 0.0 110.776 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 175.72 21.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.551 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 68' ' ' LYS . 32.5 t -98.8 146.5 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.28 106.71 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 7.3 p90 -94.11 92.08 7.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 0.0 110.511 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -161.66 159.02 26.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.122 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -107.0 58.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.083 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.58 134.69 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.412 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -121.91 109.36 14.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -65.02 128.59 36.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -77.88 -26.33 49.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.36 -159.0 9.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.84 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.308 . . . . 0.0 111.241 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -36.63 70.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -124.16 157.02 35.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 53' ' ' LYS . 7.4 tt -113.46 135.02 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.491 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -70.25 137.9 51.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 36' ' ' VAL . 9.9 mt -119.85 130.0 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.637 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -119.46 145.86 45.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 48.0 mt -61.67 125.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -2.13 58.7 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.732 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.32 143.34 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.7 m -94.74 154.25 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -142.13 138.62 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.508 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -97.91 108.54 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.36 133.69 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.732 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.6 pp -123.9 -36.75 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.658 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.805 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -122.4 151.1 41.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -139.18 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -177.33 36.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.192 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.42 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.615 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 64.31 36.45 93.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.854 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.858 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.65 91.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.472 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.67 147.08 44.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.92 0.391 . . . . 0.0 111.215 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' CA ' HG22 ' A' ' 59' ' ' ILE . 6.1 ttm-85 -107.14 144.19 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.71 37.45 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -132.43 139.06 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -67.74 149.35 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD11 ' CE2' ' A' ' 13' ' ' TYR . 4.2 mm? -59.32 -30.8 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -73.46 -67.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 28' ' ' LEU . 44.6 pttt -97.89 79.82 2.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -30.66 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 m -59.33 -31.14 68.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.09 151.92 21.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -136.12 153.9 51.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.44 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -170.13 -165.34 27.34 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.858 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.4 pt -134.1 166.05 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.3 p90 -159.93 159.0 27.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.8 140.35 31.98 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.968 2.446 . . . . 0.0 112.091 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.82 60.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.792 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.31 11.43 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.44 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' HD13 ' A' ' 65' ' ' ILE . 41.8 m-85 -143.24 33.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 60' ' ' PHE . 14.8 mm -128.28 161.38 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.927 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 65' ' ' ILE . 18.4 t60 -148.54 112.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.024 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.2 mm? -69.11 119.31 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 15' ' ' VAL . 7.8 mmtt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 37' ' ' HIS . 2.6 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 35' ' ' THR . . . -142.9 -150.31 5.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.31 143.61 40.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.05 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -113.53 114.23 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.3 p90 -106.94 92.26 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.507 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -161.59 176.79 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.962 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -117.68 54.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.96 140.38 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.499 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -128.48 102.35 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.62 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -58.48 164.8 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.396 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 28.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 178.42 42.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.17 64.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -30.33 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 163.63 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.979 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt -135.6 136.51 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 28' ' ' LEU . 22.0 p -68.05 137.43 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 36' ' ' VAL . 5.1 mt -129.21 137.39 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.67 159.7 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 8.6 mt -67.17 136.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.227 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 -3.36 79.83 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.721 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.36 139.97 30.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.498 HG22 HD23 ' A' ' 51' ' ' LEU . 12.6 m -92.15 145.47 24.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -138.51 137.49 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 26.0 t-80 -103.86 114.04 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.456 HG23 ' HB3' ' A' ' 46' ' ' TYR . 3.3 mt -81.21 131.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.616 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.409 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.9 pp -117.72 -22.39 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.997 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -133.41 150.38 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.487 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 13.7 t -153.67 179.24 9.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.246 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -178.22 -64.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -177.5 101.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.43 26.54 69.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.118 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.702 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -159.43 100.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.8 m-85 -119.64 147.11 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.705 ' HB2' HG22 ' A' ' 59' ' ' ILE . 11.4 ttp180 -114.46 148.58 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.518 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 177.51 -155.61 18.06 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.683 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -146.65 140.93 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.506 HG23 HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.08 151.92 46.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.498 HD23 HG22 ' A' ' 35' ' ' THR . 3.6 mm? -59.5 -30.75 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -78.94 -46.54 18.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -104.42 86.71 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -77.71 -33.33 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -70.11 -30.0 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.63 148.48 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -136.09 154.56 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -172.39 -175.75 40.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.596 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.705 HG22 ' HB2' ' A' ' 47' ' ' ARG . 13.2 pt -124.02 155.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -151.55 149.43 24.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 73.2 Cg_endo -76.14 138.17 20.07 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -66.57 -9.72 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.914 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.42 -24.61 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 14.6 p90 -135.75 19.4 3.29 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 60' ' ' PHE . 46.5 mm -94.5 144.88 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.228 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -139.69 112.45 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.67 133.91 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.771 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 35' ' ' THR . . . -135.51 -156.22 7.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -125.69 146.44 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.736 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -120.23 106.77 12.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.3 p90 -101.62 92.19 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.35 175.89 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.032 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.95 60.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -101.31 144.88 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.04 154.34 36.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.67 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -97.16 167.16 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -133.58 29.81 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.65 -171.11 26.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.366 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.0 68.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.13 -31.82 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.19 170.65 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.639 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -139.79 134.22 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.67 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 14.8 p -73.75 139.73 45.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.174 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 16' ' ' ALA . 2.2 mt -129.76 137.44 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -130.23 163.8 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 13.3 mt -69.75 134.43 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.85 -5.85 64.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.815 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.28 149.24 21.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 14' ' ' GLY . 7.6 m -102.88 146.6 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 50' ' ' THR . 4.9 m -135.04 140.48 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.577 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -103.15 111.88 24.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.508 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.13 121.62 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.41 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -110.83 -24.61 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.794 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.94 151.14 51.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -148.61 -179.7 7.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -177.69 -65.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 179.87 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.05 28.29 60.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.002 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.78 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -164.36 99.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.6 m-85 -119.74 160.9 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.48 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' CA ' HG22 ' A' ' 59' ' ' ILE . 20.2 ttt180 -122.08 130.16 53.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.57 -163.54 13.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.618 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -142.75 125.8 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.673 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.9 147.47 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.59 -30.57 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -75.62 -33.26 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -118.38 81.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -71.78 -31.36 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.99 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -77.34 -40.87 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 136.07 36.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -123.15 150.95 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -165.15 -171.79 31.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.69 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.78 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.6 pt -128.85 155.04 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -149.93 154.52 37.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.6 Cg_endo -77.78 138.9 17.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.461 2.107 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -67.81 -9.72 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.913 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -49.37 -24.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.691 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 40.2 p90 -137.35 24.18 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.6 mm -99.9 132.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.166 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -131.18 121.12 24.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.9 mm? -74.2 135.61 42.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.826 0.346 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' THR . . . -127.36 -156.15 9.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.79 149.53 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -123.97 110.96 15.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 16.0 p90 -105.57 92.19 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.442 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.69 178.26 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.015 179.462 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -117.13 54.36 0.87 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.192 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.44 127.2 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.56 86.16 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.67 163.72 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -139.17 30.03 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.31 171.83 39.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.411 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.62 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.1 -32.27 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -104.1 -178.41 3.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.799 HD12 ' CA ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.25 130.43 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -78.39 114.01 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.694 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.7 mt -119.04 142.87 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.61 162.16 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.0 mt -68.64 133.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.28 -5.85 61.16 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.724 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -95.29 147.04 23.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' HD23 ' A' ' 51' ' ' LEU . 26.3 m -98.08 141.86 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.548 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 30' ' ' LEU . 28.6 m -128.19 143.45 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -102.59 108.31 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.319 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 HD11 ' A' ' 67' ' ' LEU . 5.3 mt -66.86 114.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.144 0.497 . . . . 0.0 111.296 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.905 HD23 ' HG2' ' A' ' 40' ' ' GLU . 6.0 tt -95.13 -48.34 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.548 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.905 ' HG2' HD23 ' A' ' 39' ' ' LEU . 4.7 mm-40 -132.45 155.43 48.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.95 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -151.41 171.67 17.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -169.82 -66.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.703 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.97 100.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.64 80.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.224 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.857 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.0 88.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 110.337 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -119.56 147.0 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.096 -179.418 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HD2' HD22 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.71 141.05 36.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.14 -165.2 20.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.588 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -149.03 127.49 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -64.64 165.47 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.588 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -74.1 -32.0 63.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -68.54 -50.84 48.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -120.22 75.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE3' HD13 ' A' ' 51' ' ' LEU . 18.0 mttt -67.23 -30.12 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.3 113.44 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -95.45 150.15 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD12 ' A' ' 28' ' ' LEU . . . -160.69 -175.57 31.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.857 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -123.68 155.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.261 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.0 p90 -149.03 151.24 34.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.018 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 7.6 Cg_exo -72.39 143.01 38.09 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.842 2.361 . . . . 0.0 112.419 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.66 -10.07 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.884 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.9 p -52.36 -22.67 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 51.6 p90 -139.35 41.74 2.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 62' ' ' ALA . 23.8 mm -118.37 130.81 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.968 0.414 . . . . 0.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -140.64 114.56 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.526 HD11 HD13 ' A' ' 38' ' ' ILE . 9.5 mp -61.85 144.62 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.59 -156.6 6.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 68' ' ' LYS . 51.9 t -123.65 154.71 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.575 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -129.02 117.59 21.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.9 p90 -107.97 92.67 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.984 0.421 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -160.94 173.32 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.08 61.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.395 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -98.14 134.5 41.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.037 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.16 115.7 24.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -72.45 159.24 34.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.317 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -106.86 -28.34 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.4 -161.77 10.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.432 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.03 -27.87 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.5 -35.25 69.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.016 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -176.57 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -141.93 134.29 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.39 110.16 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -102.39 136.54 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -131.58 154.55 48.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.2 mt -66.57 133.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.64 -2.88 67.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.631 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.3 143.19 26.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 50' ' ' THR . 42.7 m -93.59 136.16 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.406 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' THR . 13.4 m -121.81 137.2 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.626 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -101.39 108.14 19.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.91 138.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.436 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.571 HD13 ' C ' ' A' ' 39' ' ' LEU . 3.3 tm? -123.37 -45.54 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.444 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 3.0 mt-10 -133.33 156.71 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.288 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 46' ' ' TYR . 71.0 p -138.73 175.62 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.383 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -179.09 37.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.12 100.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.28 88.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.042 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.903 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.82 91.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.633 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.875 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.64 147.06 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 111.528 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -109.02 138.26 45.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.477 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.85 179.92 44.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.635 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -123.36 146.87 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -77.99 159.32 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.11 -36.25 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -59.98 -32.46 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 91.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -67.78 -28.91 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -30.96 66.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.626 ' HG2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.43 130.79 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 134.38 48.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.847 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -158.47 -172.18 25.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.57 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.903 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.9 pt -118.7 154.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.001 0.429 . . . . 0.0 111.312 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.7 p90 -154.74 147.99 18.33 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 Cg_endo -77.93 141.97 19.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.42 2.08 . . . . 0.0 112.395 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.68 -9.82 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.917 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.3 p -49.58 -24.68 2.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 22.9 p90 -132.94 18.71 4.14 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.433 HG13 ' CE1' ' A' ' 60' ' ' PHE . 50.6 mm -94.57 145.09 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 0.0 111.239 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -146.88 114.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.8 mm? -57.67 141.65 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.73 -175.85 14.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.619 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.737 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.5 t -103.27 150.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -125.06 112.98 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 10.0 p90 -103.29 92.21 4.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.611 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 24.1 t80 -161.56 163.62 30.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.05 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -111.45 57.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.39 132.95 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.284 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -122.06 95.68 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.627 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -60.97 144.46 53.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.238 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.82 27.95 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.761 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.96 -179.48 46.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.26 64.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.325 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.41 -40.31 86.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.04 165.61 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -131.7 135.03 46.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 28' ' ' LEU . 23.5 m -65.74 129.56 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -117.21 135.92 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.611 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -130.52 148.0 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 6.7 mt -62.31 140.61 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.91 -7.56 81.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.834 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.72 136.97 32.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 m -92.06 131.54 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.49 HG12 ' CG2' ' A' ' 50' ' ' THR . 8.1 m -115.44 138.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.539 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -97.97 108.34 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.66 122.47 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.608 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.69 HD11 ' HD3' ' A' ' 47' ' ' ARG . 4.0 pp -114.82 -25.8 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -131.4 149.78 52.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.617 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -155.28 179.7 8.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.104 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -177.83 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 179.02 102.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.6 30.46 74.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.976 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.717 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -165.83 99.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 3.5 m-85 -119.63 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.947 0.403 . . . . 0.0 111.416 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.69 ' HD3' HD11 ' A' ' 39' ' ' LEU . 6.3 ttt85 -117.43 144.13 45.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.262 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.72 -157.23 16.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.686 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.46 141.79 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.49 ' CG2' HG12 ' A' ' 36' ' ' VAL . 16.2 p -76.0 157.46 33.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.46 -30.56 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.93 -65.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 101.09 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -75.57 -33.08 60.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -30.6 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 119.51 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -119.37 153.61 34.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.45 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -174.75 -177.82 44.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.594 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.717 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 13.4 pt -114.61 155.11 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 p90 -147.95 156.11 44.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.244 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.432 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.6 Cg_exo -63.81 142.4 82.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.645 2.23 . . . . 0.0 111.832 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.43 -41.74 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.697 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -57.13 -23.42 47.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.479 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 35.9 m-85 -104.24 38.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.047 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.7 mm -139.41 158.08 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 65' ' ' ILE . 7.6 t60 -148.64 112.5 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -63.13 131.73 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.737 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -131.4 169.78 15.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.81 123.59 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.496 ' CD1' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -83.1 162.72 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.529 ' HB ' HG23 ' A' ' 41' ' ' THR . 5.8 t -79.85 141.57 55.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 6.4 Cg_endo -86.03 18.63 1.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.917 2.411 . . . . 0.0 112.782 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.569 ' HB ' HG22 ' A' ' 41' ' ' THR . 1.8 t 42.75 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -107.49 165.86 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 59.88 34.86 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HG3' HD13 ' A' ' 67' ' ' LEU . 1.1 tp10 -108.14 162.64 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.4 -66.77 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -172.05 -72.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -140.15 178.47 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -148.69 -151.32 5.43 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.03 148.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.36 113.31 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.802 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 22.2 p90 -107.0 92.24 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.016 0.436 . . . . 0.0 110.944 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.65 177.65 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -117.25 53.05 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.04 134.43 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.428 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.86 89.73 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.87 137.34 56.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.332 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -116.98 29.41 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.57 169.45 38.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.29 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.89 -36.64 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.29 -178.19 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.62 132.34 15.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -72.63 120.43 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 HG11 ' A' ' 36' ' ' VAL . 7.0 mt -120.84 137.45 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.77 158.18 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 11.5 mt -67.66 135.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.45 -4.78 64.52 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.724 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.31 150.21 20.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.915 0.388 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' GLY . 46.3 m -104.41 139.84 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.346 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.816 HG11 HD21 ' A' ' 30' ' ' LEU . 29.4 m -129.53 138.0 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.657 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -100.28 108.43 20.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.853 HD12 HD21 ' A' ' 67' ' ' LEU . 3.7 mt -76.69 128.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.601 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.746 HD12 ' HG2' ' A' ' 40' ' ' GLU . 3.8 pp -112.44 -29.96 7.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.593 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.746 ' HG2' HD12 ' A' ' 39' ' ' LEU . 14.6 mm-40 -129.95 165.33 22.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.491 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.569 HG22 ' HB ' ' A' ' 7' ' ' THR . 10.2 t -157.15 166.79 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.496 ' CD1' ' CD1' ' A' ' 4' ' ' TRP . 23.3 t80 -174.92 34.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.33 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 65.61 102.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.018 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 37.4 94.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.223 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.865 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.45 92.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.9 m-85 -119.33 159.33 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.056 0.455 . . . . 0.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 9.8 ttt180 -123.14 150.79 42.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.691 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 175.78 -152.86 13.68 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.629 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -154.66 145.26 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -69.83 148.37 49.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 HG22 ' A' ' 35' ' ' THR . 4.4 mm? -57.6 -29.39 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -116.93 78.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -77.08 -30.33 55.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -68.16 -30.9 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 146.16 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.91 143.95 41.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.708 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -166.99 -179.88 40.32 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.552 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.865 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 8.0 pt -111.87 161.58 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.368 . . . . 0.0 111.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.9 p90 -157.4 149.87 17.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 12.2 Cg_exo -70.15 135.28 29.14 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.728 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.5 -10.13 58.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.654 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -51.01 -24.7 3.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.881 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' HE1' HD13 ' A' ' 30' ' ' LEU . 49.3 p90 -132.19 28.01 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.4 mm -107.97 134.94 48.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.021 0.439 . . . . 0.0 111.26 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -135.83 112.33 9.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.692 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.853 HD21 HD12 ' A' ' 38' ' ' ILE . 18.7 mt -72.43 139.13 47.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -114.47 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.65 45.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.2 157.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.12 170.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.4 m -134.9 131.96 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.48 134.06 38.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.313 -1.271 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.13 99.95 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -64.15 154.39 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -77.12 -169.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.42 HG23 ' HD1' ' A' ' 42' ' ' TYR . 12.0 t -130.96 141.39 41.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 37.2 Cg_exo -59.89 179.78 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.551 2.167 . . . . 0.0 111.945 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 41' ' ' THR . 11.1 p -121.99 120.2 33.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.058 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -125.21 172.76 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.792 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.23 30.06 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.1 -8.21 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.69 -66.81 0.25 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -149.75 -69.79 0.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -151.84 179.88 8.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.633 ' O ' HG23 ' A' ' 35' ' ' THR . . . -137.9 -165.4 10.34 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 68' ' ' LYS . 47.5 t -120.52 148.64 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -126.52 116.96 21.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.3 p90 -109.28 92.4 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.55 173.39 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.966 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -113.96 49.88 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.152 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -77.11 139.5 40.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.329 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -135.04 103.84 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 137.12 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.335 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -92.46 -22.27 19.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.37 177.02 18.55 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.96 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.55 -34.64 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -173.33 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 53' ' ' LYS . 4.5 tt -151.08 126.47 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -64.75 128.05 34.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -110.56 134.73 52.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.725 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.86 156.47 42.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.7 mt -69.26 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 -4.66 86.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -95.31 144.8 25.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 14' ' ' GLY . 88.8 m -99.8 130.17 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 30' ' ' LEU . 5.1 m -114.73 138.99 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.454 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -97.91 108.35 21.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.744 HG22 HG21 ' A' ' 7' ' ' THR . 3.0 mm -61.92 106.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -94.02 -31.04 14.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -145.7 142.32 28.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 7' ' ' THR . 6.0 t -144.55 -178.95 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 111.193 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.42 ' HD1' HG23 ' A' ' 5' ' ' VAL . 69.8 t80 -178.29 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -177.97 101.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 34.15 87.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.101 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.984 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.25 93.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.824 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 m-85 -119.68 146.99 45.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.013 0.435 . . . . 0.0 111.202 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.65 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.7 ttt180 -117.75 121.26 40.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 -163.43 9.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 49' ' ' TYR . 24.1 p90 -138.83 131.49 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.18 157.26 31.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.2 mm? -66.45 -30.64 71.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.7 mmt-85 -67.95 -52.75 32.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -118.46 80.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.991 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 51' ' ' LEU . 46.2 mttt -68.37 -31.48 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -31.47 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -91.88 153.64 19.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.42 149.46 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -159.0 175.41 35.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.984 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 9.1 pt -109.65 155.08 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.9 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CE1' HG13 ' A' ' 65' ' ' ILE . 8.3 p90 -157.72 144.12 12.96 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 7.8 Cg_exo -72.36 142.19 36.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.471 2.114 . . . . 0.0 111.95 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.824 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.55 -9.92 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.7 t -49.65 -25.06 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 46.7 p90 -134.33 26.19 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 60' ' ' PHE . 35.9 mm -105.68 136.25 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.106 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -141.62 112.38 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.748 HD13 ' HA ' ' A' ' 10' ' ' GLU . 59.8 mt -68.04 139.62 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 15' ' ' VAL . 10.7 mmtm -127.27 169.02 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.25 41.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 63.22 142.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.4 mp -124.86 142.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.0 p -177.06 130.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.79 130.95 45.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.545 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.752 0.31 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 2' ' ' THR . 9.4 t -77.76 103.76 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -128.21 107.65 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -70.42 137.78 50.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 20.4 t -77.73 139.1 62.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 94.3 Cg_endo -85.82 25.75 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.689 2.259 . . . . 0.0 112.887 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.489 ' HB ' HG22 ' A' ' 41' ' ' THR . 2.9 t 42.82 59.52 2.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.431 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -67.31 158.55 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.11 30.49 19.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -149.31 78.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -98.81 32.93 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -118.38 162.9 17.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.34 163.45 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.42 -157.14 8.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.388 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -127.19 149.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.98 108.48 12.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.3 p90 -102.41 92.3 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.42 174.79 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -120.13 57.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.245 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.36 145.58 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -134.26 115.59 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.53 153.95 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.97 30.55 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.31 176.3 41.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.9 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -30.51 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -113.64 171.56 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 53' ' ' LYS . 4.2 tp -138.84 137.11 36.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -73.85 146.52 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.1 mt -136.57 137.32 40.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -126.46 163.4 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 30.9 mt -72.74 136.42 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.8 -4.59 72.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.769 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.22 145.29 25.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 111.157 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -92.01 151.07 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.759 ' CG1' HD21 ' A' ' 30' ' ' LEU . 17.7 m -139.37 137.36 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.769 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -108.23 108.43 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.174 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD21 ' A' ' 67' ' ' LEU . 4.2 mt -78.94 131.16 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 pp -108.75 -20.87 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -138.68 151.3 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.489 HG22 ' HB ' ' A' ' 7' ' ' THR . 15.3 t -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.887 0.375 . . . . 0.0 111.213 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -177.76 -68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 179.25 102.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.71 29.92 65.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.008 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -166.99 93.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.812 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.68 157.85 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CA ' HG22 ' A' ' 59' ' ' ILE . 21.7 ttm180 -116.59 133.57 55.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.654 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.65 -161.25 18.37 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.8 p90 -152.63 149.66 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.654 HG22 HG12 ' A' ' 36' ' ' VAL . 37.6 p -81.55 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 54' ' ' LYS . 2.3 mt -59.24 -28.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.29 94.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -137.7 82.24 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 51' ' ' LEU . 32.6 mttt -73.93 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.242 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -54.43 -39.64 67.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -96.98 149.82 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.38 152.92 49.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.835 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -167.31 -172.85 34.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.778 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -125.2 156.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 30' ' ' LEU . 4.3 p90 -151.87 152.45 30.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 10.1 Cg_exo -70.98 140.7 38.65 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.692 2.261 . . . . 0.0 112.027 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.06 58.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.65 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -25.22 4.11 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 51.5 p90 -136.2 43.79 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.299 . . . . 0.0 111.679 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.427 HG13 ' CE1' ' A' ' 60' ' ' PHE . 22.8 mm -123.49 124.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.206 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.94 119.75 24.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -79.23 132.6 36.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -99.84 168.58 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.7 92.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . . . -80.91 115.76 20.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 73' ' ' GLU . 2.3 mp -68.9 141.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.24 31.0 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -109.13 153.88 23.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.283 -1.287 . . . . 0.0 112.577 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.717 0.294 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.1 p -106.47 33.78 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.768 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' CD1' ' CD1' ' A' ' 42' ' ' TYR . 9.1 t90 -95.32 20.71 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.238 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.912 HG22 ' CG ' ' A' ' 40' ' ' GLU . 2.9 t -129.61 88.65 49.16 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.857 0.36 . . . . 0.0 111.549 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 64.7 Cg_endo -88.74 -27.74 0.4 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.192 2.595 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 7' ' ' THR . 5.3 t -51.54 112.26 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.163 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.3 120.92 26.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.771 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 63.86 72.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -92.38 169.51 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -68.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.91 -66.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.48 178.81 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -154.45 141.8 8.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.3 t -96.42 146.75 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -127.13 123.3 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -112.06 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.74 174.09 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.857 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -117.65 55.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.995 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -86.5 147.85 25.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.397 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.82 148.56 49.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -98.23 149.7 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 0.0 111.464 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.37 -20.12 13.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.66 -167.06 16.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.617 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.3 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.252 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -31.08 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.994 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.09 174.84 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 2.9 tt -146.99 133.51 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.526 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 15.1 t -63.8 122.23 15.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -105.1 137.78 42.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -132.93 156.66 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 7.0 mt -67.68 140.78 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -1.33 87.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.699 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.26 139.25 31.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 111.368 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' THR . 6.8 m -93.27 151.01 20.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.075 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 50' ' ' THR . 28.8 m -140.39 141.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.842 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -99.68 107.97 20.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.692 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.609 HD12 HD21 ' A' ' 67' ' ' LEU . 23.2 mt -71.9 108.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.611 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD13 ' C ' ' A' ' 39' ' ' LEU . 2.0 tm? -92.94 -42.07 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.336 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.912 ' CG ' HG22 ' A' ' 5' ' ' VAL . 1.3 mt-10 -123.92 166.47 15.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.529 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 46' ' ' TYR . 16.1 m -147.99 167.09 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.679 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 4' ' ' TRP . 3.7 t80 -176.33 37.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 111.398 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 100.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.627 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.45 26.6 64.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.766 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 1.011 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -163.23 93.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.835 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.38 151.55 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.308 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -116.32 100.7 8.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.678 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.83 168.76 22.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.589 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -110.38 138.42 46.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -68.39 148.7 50.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.1 mm? -62.8 -37.67 87.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -30.14 63.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.542 ' NZ ' HD11 ' A' ' 28' ' ' LEU . 3.5 mtpm? -121.16 74.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 51' ' ' LEU . 26.5 mttp -80.85 -0.96 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -83.26 -31.04 27.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.131 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -121.63 154.29 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.215 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.07 155.36 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -151.77 -177.64 25.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.806 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.011 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 4.0 pt -126.47 154.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.662 0.268 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -159.95 152.94 18.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.0 Cg_endo -80.74 143.5 14.88 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.618 2.212 . . . . 0.0 112.249 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.835 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.82 -9.73 52.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.852 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -49.46 -25.07 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 36.8 p90 -134.31 25.47 3.82 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.435 HG13 ' CE1' ' A' ' 60' ' ' PHE . 43.8 mm -104.29 146.78 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.271 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.55 112.33 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD21 HD12 ' A' ' 38' ' ' ILE . 68.4 mt -68.28 140.03 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -86.69 -174.94 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.57 47.27 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 63.29 52.44 2.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mm 63.81 138.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 72' ' ' VAL . 28.4 m -100.89 110.89 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 139.52 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.53 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.956 0.408 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.54 151.47 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -123.19 -43.55 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -86.89 -178.6 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 3.8 m -132.88 143.88 50.51 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.383 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' HG22 ' A' ' 41' ' ' THR . 16.2 Cg_exo -67.66 -163.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.68 2.253 . . . . 0.0 112.143 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.735 HG21 HG22 ' A' ' 38' ' ' ILE . 47.1 p -141.09 81.23 1.78 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -88.91 83.0 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -167.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 63.7 152.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.634 ' NZ ' ' HB1' ' A' ' 70' ' ' ALA . 31.9 mttt -150.56 -70.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.731 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -142.25 179.96 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.91 168.98 24.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.84 144.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.769 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -122.91 103.78 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.22 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -93.35 92.34 7.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.427 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.496 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 16.7 t80 -161.38 166.01 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.863 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -113.82 52.14 0.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.455 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' HB3' ' CB ' ' A' ' 30' ' ' LEU . 3.2 t80 -78.28 142.48 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -138.99 86.64 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 150.11 23.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -107.74 -20.9 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.97 -176.82 14.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.43 -26.82 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.12 -30.58 62.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -121.99 174.05 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 29' ' ' SER . 6.7 tt -137.56 136.02 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.53 129.45 41.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB1' ' A' ' 16' ' ' ALA . 12.4 tp -116.43 126.38 53.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -117.69 153.26 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.67 133.58 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.87 -1.51 80.87 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.848 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.26 144.04 26.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.6 m -91.99 157.45 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 50' ' ' THR . 10.2 m -146.35 137.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.411 . . . . 0.0 111.655 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -98.02 109.66 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.364 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.735 HG22 HG21 ' A' ' 7' ' ' THR . 2.0 mt -79.75 134.58 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.65 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 40' ' ' GLU . 2.2 pp -121.18 -32.04 3.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.805 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.737 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.8 mm-40 -127.02 143.68 51.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.72 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 7' ' ' THR . 1.8 t -132.51 172.51 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 44.2 t80 -177.19 37.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.976 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 62.23 99.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.744 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.94 39.6 97.21 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.151 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.887 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.96 91.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.839 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.73 154.68 33.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' HB2' HG22 ' A' ' 59' ' ' ILE . 27.7 ttt180 -118.6 146.89 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.226 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.93 -160.67 24.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.743 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.1 p90 -136.45 139.59 42.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -69.87 154.68 41.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD21 ' CD2' ' A' ' 13' ' ' TYR . 3.6 mm? -63.99 -29.35 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -83.43 -48.85 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -102.58 81.89 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -68.99 -30.15 68.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -70.08 -54.28 13.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -67.69 138.38 56.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -137.94 145.13 41.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -163.4 -176.66 35.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.667 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.887 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.5 pt -109.77 155.16 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 65' ' ' ILE . 7.1 p90 -152.24 152.76 30.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 65' ' ' ILE . 60.6 Cg_endo -71.96 143.15 40.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.05 -26.82 64.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 m -61.04 -22.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.295 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 43.2 m-85 -114.81 41.23 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.211 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.1 mm -138.23 159.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.947 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 65' ' ' ILE . 26.7 t-80 -144.85 125.38 14.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 67' ' ' LEU . 1.4 mm? -76.68 123.77 26.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -87.18 172.42 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.75 25.89 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB1' ' NZ ' ' A' ' 12' ' ' LYS . . . 59.35 109.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.69 103.31 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 m -88.67 58.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.69 39.24 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -100.49 160.08 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -167.13 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.468 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 64.14 122.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.753 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -54.45 155.12 7.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.564 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.18 45.69 1.48 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.882 2.388 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.733 ' HA ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER 43.09 95.51 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.084 0.469 . . . . 0.0 111.674 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.45 172.38 9.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.74 29.75 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -130.07 -178.1 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.87 -79.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.58 -77.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 70' ' ' ALA . 2.6 p90 -137.12 170.68 15.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.62 -162.29 9.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.506 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG21 ' HE3' ' A' ' 68' ' ' LYS . 27.3 t -117.09 143.4 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.55 114.27 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.7 p90 -108.15 92.42 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.766 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.36 173.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.897 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.83 61.05 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.205 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -98.25 141.03 31.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.241 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -127.35 112.91 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.74 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.47 151.96 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.04 -22.86 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.77 -171.97 15.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.28 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.87 -31.42 68.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.5 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 29' ' ' SER . 7.6 tt -143.97 134.13 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.751 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 t -65.89 139.08 58.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.756 HD21 HG11 ' A' ' 36' ' ' VAL . 4.3 mt -131.47 135.63 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -131.3 162.16 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 10.6 mt -69.57 138.22 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.17 71.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.77 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.26 149.39 21.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 111.028 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 14' ' ' GLY . 17.1 m -102.3 145.4 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.756 HG11 HD21 ' A' ' 30' ' ' LEU . 18.3 m -134.9 137.06 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.582 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 35.1 t-80 -99.02 108.18 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.3 mp -64.76 106.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.379 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' C ' HD23 ' A' ' 39' ' ' LEU . 8.5 tt -86.65 -28.32 23.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -150.1 151.0 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 7' ' ' THR . 10.5 t -130.83 172.67 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.442 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 56.5 t80 -176.88 33.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.4 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.023 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.11 33.88 69.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.325 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -180.0 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.852 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.4 m-85 -119.55 147.19 44.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.945 0.402 . . . . 0.0 111.457 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.498 ' HB2' HG22 ' A' ' 59' ' ' ILE . 10.0 ttt180 -112.91 126.76 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 37' ' ' HIS . . . -153.34 -165.34 13.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.818 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD1' ' HE3' ' A' ' 57' ' ' LYS . 26.5 p90 -135.29 127.09 29.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.688 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -61.45 145.11 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.36 -29.93 64.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -80.5 -39.26 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 75.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -76.07 -11.71 59.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.375 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -89.51 -30.18 18.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 152.65 19.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' HE2' HD13 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -130.27 158.53 39.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.716 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -169.77 -172.78 36.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.691 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -123.83 154.99 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.985 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.465 ' HB3' HD12 ' A' ' 30' ' ' LEU . 5.8 p90 -155.01 148.58 18.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.806 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 76.9 Cg_endo -78.15 142.91 19.68 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.57 2.18 . . . . 0.0 112.345 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.852 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.25 -9.7 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 m -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' HE1' HD13 ' A' ' 30' ' ' LEU . 36.0 p90 -135.86 27.54 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.6 mm -105.8 135.9 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -135.81 120.82 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.96 129.77 39.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.606 ' HE3' HG21 ' A' ' 15' ' ' VAL . 40.8 mttt -95.66 -176.4 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.97 26.98 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . . . 63.04 138.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.245 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 pt -131.86 85.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG23 ' HG3' ' A' ' 73' ' ' GLU . 30.4 m -121.13 -178.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 72' ' ' VAL . 3.1 mt-10 66.13 95.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.532 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.74 0.305 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t -140.74 143.62 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -71.02 110.03 5.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -139.02 -172.44 3.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.51 HG23 ' CD2' ' A' ' 42' ' ' TYR . 15.2 t -110.4 139.99 22.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 88.2 Cg_endo -83.72 32.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.652 2.234 . . . . 0.0 112.966 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.6 ' HA ' HG22 ' A' ' 41' ' ' THR . 1.3 t 42.79 97.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.97 0.414 . . . . 0.0 111.981 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -103.52 150.37 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.37 86.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -159.7 175.76 12.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.2 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -167.15 -69.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -144.3 179.84 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' THR . . . -152.21 -154.05 6.5 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.602 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 68' ' ' LYS . 40.2 t -122.75 154.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 15' ' ' VAL . . . -129.64 105.51 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.62 92.33 6.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.651 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 19.4 t80 -161.41 164.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -112.17 55.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -81.95 146.65 29.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.238 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -132.6 98.08 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.516 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -55.38 121.77 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.404 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 27.57 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.71 169.07 26.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.27 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -59.15 -30.36 68.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.84 170.1 10.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.8 tt -130.39 133.64 46.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 67.7 m -67.19 143.04 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 36' ' ' VAL . 8.4 mt -130.87 136.98 49.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -124.84 154.47 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.2 mt -70.53 127.3 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.1 -9.64 59.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.39 146.16 27.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -91.9 149.24 21.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 30' ' ' LEU . 3.1 m -139.91 137.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.549 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -100.3 113.97 27.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.225 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' HZ ' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -78.62 120.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.333 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.5 pp -110.39 -18.8 13.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -144.38 157.04 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 7' ' ' THR . 14.1 t -157.71 -179.76 8.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CD2' HG23 ' A' ' 5' ' ' VAL . 1.6 t80 -179.4 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.72 102.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.561 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 60.82 31.74 76.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.987 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.808 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -170.74 96.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.7 m-85 -119.53 166.93 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 111.169 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.567 ' CD ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -129.5 146.27 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.456 179.585 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.645 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . -175.62 -164.3 29.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.747 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -140.12 132.59 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -69.32 143.29 53.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.97 -30.77 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -42.35 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 87.36 2.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.11 -30.53 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.02 -39.75 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 134.22 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -137.9 137.78 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -161.48 -159.63 10.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.686 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.808 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -126.53 167.52 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HZ ' HD12 ' A' ' 38' ' ' ILE . 3.1 p90 -159.85 160.38 27.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.31 138.5 36.2 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.838 2.359 . . . . 0.0 112.198 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.69 -10.27 59.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.805 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -87.71 11.23 15.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.268 . . . . 0.0 111.443 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' O ' HD13 ' A' ' 65' ' ' ILE . 55.0 m-85 -144.13 34.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 64' ' ' TYR . 11.3 mm -134.15 148.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.84 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -148.55 112.4 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 51.2 mt -61.04 144.64 53.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.718 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.28 168.28 9.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.83 85.04 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.33 -163.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.15 156.27 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.163 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 m -120.45 33.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -119.92 75.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.445 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 t 43.22 90.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.28 -52.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -140.01 -174.53 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.477 HG23 ' HD1' ' A' ' 42' ' ' TYR . 19.1 t -128.46 134.84 26.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -87.79 24.75 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.737 2.291 . . . . 0.0 112.83 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 ' HB ' HG22 ' A' ' 41' ' ' THR . 3.1 t 42.69 56.04 4.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.009 0.433 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -63.11 170.6 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.29 31.56 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.67 148.74 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.81 39.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 4.8 mttm -136.43 -176.45 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' NE2' ' A' ' 37' ' ' HIS . 2.0 m-85 -114.13 179.94 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' THR . . . -147.89 171.78 28.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 68' ' ' LYS . 39.4 t -123.52 137.03 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.083 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' ' HE1' ' A' ' 64' ' ' TYR . . . -113.82 119.98 39.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.819 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 18.1 p90 -111.44 92.26 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.35 173.19 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -116.31 53.58 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.4 143.07 27.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.266 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -128.12 118.26 23.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.767 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.5 140.77 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -98.91 -20.18 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.005 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -170.89 17.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.412 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.19 64.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -32.05 69.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.72 174.16 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 53' ' ' LYS . 1.9 tt -140.27 129.85 24.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.483 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 3.1 m -60.91 126.09 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -109.71 130.3 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -125.45 153.89 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 27.3 mt -68.65 137.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.9 76.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.72 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.24 134.88 37.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.781 0.324 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 29.3 m -91.93 142.37 27.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.75 HG12 HG23 ' A' ' 50' ' ' THR . 28.6 m -133.71 144.79 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.705 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 36.7 m170 -98.06 108.31 20.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.05 114.55 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.321 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 39' ' ' LEU . 8.5 tt -95.34 -38.57 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.653 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.3 mt-10 -138.18 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.503 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.48 HG22 ' HB ' ' A' ' 7' ' ' THR . 11.5 t -133.91 -175.21 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.023 0.439 . . . . 0.0 111.342 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' HD1' HG23 ' A' ' 5' ' ' VAL . 3.2 t80 -176.62 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.53 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -166.27 -65.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.452 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.58 32.12 3.26 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.764 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.801 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -161.13 103.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 4.1 m-30 -119.4 153.39 35.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.424 . . . . 0.0 111.419 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.667 ' CA ' HG22 ' A' ' 59' ' ' ILE . 3.4 ttt180 -118.77 129.96 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.479 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.02 -165.83 16.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.64 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -139.69 129.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.338 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.75 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -64.66 162.77 15.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 37' ' ' HIS . 4.0 mm? -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 9.9 mtp-105 -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 28' ' ' LEU . 31.7 pttt -137.15 91.42 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -74.74 -31.47 61.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -58.57 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -71.69 128.52 36.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.95 161.74 14.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -167.55 -173.09 35.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.586 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.801 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.3 pt -132.74 155.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CE2' HG21 ' A' ' 36' ' ' VAL . 6.6 p90 -151.17 144.15 16.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 13.1 Cg_exo -69.54 145.9 59.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.627 2.218 . . . . 0.0 112.037 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.02 58.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.69 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.2 p -52.39 -23.44 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 50.5 p90 -139.34 40.02 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.511 HD11 ' CD1' ' A' ' 60' ' ' PHE . 33.2 mm -113.06 130.39 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -133.47 112.74 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 67' ' ' LEU . 9.0 mp -58.83 138.94 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG2' HG23 ' A' ' 15' ' ' VAL . 2.4 mmtt -79.12 -176.22 5.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -85.14 5.19 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.516 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HB2' ' HG2' ' A' ' 12' ' ' LYS . . . 61.93 80.58 0.22 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.833 0.349 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.78 123.37 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.9 p -92.0 121.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.87 84.65 3.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.521 179.92 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p -156.63 143.71 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.4 mtt85 -58.68 98.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -92.53 172.8 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG13 ' HD2' ' A' ' 6' ' ' PRO . 43.5 t -124.56 140.91 36.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.515 ' HD2' HG13 ' A' ' 5' ' ' VAL . 96.2 Cg_endo -79.69 23.21 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.491 2.127 . . . . 0.0 113.026 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 41' ' ' THR . 3.7 t 43.02 71.6 0.22 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.831 0.348 . . . . 0.0 111.674 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 82.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.735 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -82.87 -46.42 13.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.987 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 45.16 41.0 5.38 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.92 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 26.2 mttm -144.98 151.54 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.14 179.82 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.656 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.49 179.15 37.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.577 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.6 t -94.72 154.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.813 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -130.52 109.81 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 11.3 p90 -96.95 92.54 6.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.617 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t80 -161.35 163.97 30.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -109.52 52.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.377 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -77.81 141.0 39.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -132.16 97.2 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.662 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.0 126.26 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.326 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -99.66 29.23 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.46 166.09 27.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.86 69.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.252 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -46.37 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.15 157.19 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 29' ' ' SER . 6.6 tt -114.9 134.34 55.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.586 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.4 t -65.23 144.02 57.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.741 HD21 ' HB1' ' A' ' 16' ' ' ALA . 9.5 tp -128.81 126.25 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.34 152.63 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.99 132.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.59 78.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.811 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.21 145.24 25.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.749 ' HB ' HD23 ' A' ' 51' ' ' LEU . 4.6 m -94.58 152.18 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -140.17 137.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 111.52 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -99.26 109.57 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.03 126.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.8 pp -108.59 -24.08 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 2.5 mt-10 -136.56 159.62 41.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.416 ' CG2' ' HB ' ' A' ' 7' ' ' THR . 11.3 t -148.49 158.39 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 46.0 t80 -165.4 30.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 61.65 99.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.25 31.28 66.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.203 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.807 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.38 94.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.755 0.312 . . . . 0.0 110.284 -179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.6 m-85 -119.61 157.06 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.334 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' CA ' HG22 ' A' ' 59' ' ' ILE . 4.2 ttt180 -121.27 151.58 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.682 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.22 -150.35 12.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.596 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -153.91 150.41 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.491 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -74.87 158.73 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HB ' ' A' ' 35' ' ' THR . 4.6 mm? -66.22 -30.51 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 92.76 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.06 -32.93 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -63.49 -37.06 85.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.46 124.59 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -119.92 140.17 51.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.499 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -164.63 -176.45 36.38 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.493 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.807 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -124.07 155.14 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.001 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 65' ' ' ILE . 5.1 p90 -147.56 156.77 45.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.97 141.48 33.21 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.605 2.203 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.793 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.57 -10.27 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.878 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -87.18 11.34 14.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.604 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.502 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 29.1 m-85 -144.76 33.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' ' 60' ' ' PHE . 18.2 mm -130.28 160.39 41.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.501 ' N ' HG22 ' A' ' 65' ' ' ILE . 4.1 t60 -142.08 112.42 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.5 mm? -68.63 123.51 21.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -100.6 -172.56 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.34 95.35 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.92 ' HB3' ' HG2' ' A' ' 12' ' ' LYS . . . -85.88 95.09 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.9 mt 64.03 158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' N ' HG22 ' A' ' 71' ' ' ILE . 21.5 t -135.78 109.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -123.7 84.9 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.403 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.855 0.36 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 2' ' ' THR . 2.6 t -160.36 97.97 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 116.13 25.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.516 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 6.5 m95 -69.93 120.87 16.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.791 HG22 ' HA ' ' A' ' 42' ' ' TYR . 1.7 m -65.69 160.04 64.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 5' ' ' VAL . 18.6 Cg_endo -58.24 -84.1 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.841 2.361 . . . . 0.0 112.793 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 46.69 45.05 14.39 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 111.21 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -112.16 154.52 25.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.08 34.73 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.85 95.32 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 -72.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.97 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -163.52 179.19 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.829 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' THR . . . -138.26 -176.4 14.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' HG3' ' A' ' 68' ' ' LYS . 41.4 t -114.89 145.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -121.87 131.83 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.67 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 17.1 p90 -118.8 92.46 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 111.02 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.509 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.53 172.73 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -120.02 60.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.21 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -105.44 136.49 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.244 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -118.37 119.99 36.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -63.75 120.67 12.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -76.26 -22.04 55.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.56 -169.6 18.75 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.79 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.669 0.271 . . . . 0.0 111.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.32 -35.32 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.82 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 3.5 tp -132.89 129.57 38.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 53.8 p -70.55 108.94 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.379 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -102.4 128.93 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -123.3 147.73 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.548 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 21.6 mt -60.28 128.89 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.192 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.78 -0.89 63.14 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.37 144.76 25.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.871 0.367 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -98.39 151.03 20.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.385 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 50' ' ' THR . 4.1 m -140.94 137.12 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.955 0.407 . . . . 0.0 111.795 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -99.44 108.86 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.18 130.53 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.846 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 40' ' ' GLU . 3.9 pp -111.03 -38.49 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -119.62 161.0 21.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.966 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.604 HG22 HG23 ' A' ' 5' ' ' VAL . 15.1 m -155.03 162.75 40.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.979 0.418 . . . . 0.0 111.31 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.791 ' HA ' HG22 ' A' ' 5' ' ' VAL . 71.6 t80 -162.98 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.585 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -178.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.46 28.23 72.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.384 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.698 ' HA ' ' CE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -168.42 95.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.833 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.2 m-85 -119.8 158.35 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.339 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.739 ' HG2' HG22 ' A' ' 59' ' ' ILE . 6.5 mmt85 -106.69 146.24 31.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.275 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.76 -174.52 45.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -136.44 144.56 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 110.807 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.468 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -71.02 147.49 48.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 13' ' ' TYR . 2.7 mm? -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -54.76 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -118.12 93.0 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -74.58 -25.05 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -65.18 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.13 146.84 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 158.12 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -179.56 -173.89 45.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.739 HG22 ' HG2' ' A' ' 47' ' ' ARG . 13.2 pt -115.9 160.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 111.483 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.466 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 p90 -156.24 148.72 17.82 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 6.7 Cg_exo -73.68 135.97 22.61 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.397 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.74 -10.12 58.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.674 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -50.76 -25.05 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 52.6 p90 -134.42 42.67 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 31.0 mm -119.93 136.32 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 111.211 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -133.96 112.48 11.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.802 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.0 123.03 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.692 ' HG3' HG23 ' A' ' 15' ' ' VAL . 4.2 mmpt? -105.77 162.79 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.58 -74.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.63 85.66 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.5 115.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 72' ' ' VAL . 27.5 m -72.79 116.33 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.63 98.65 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.526 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.809 0.337 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -114.83 145.11 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -122.24 76.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.452 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 38.3 t90 -152.93 29.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.637 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.5 p -128.7 89.17 49.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.594 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 41' ' ' THR . 68.6 Cg_endo -87.32 -17.2 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.069 2.513 . . . . 0.0 112.428 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.428 ' HB ' ' OG1' ' A' ' 41' ' ' THR . 1.1 t -45.92 117.8 1.63 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.02 145.46 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.55 31.59 0.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.425 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.38 172.94 8.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -168.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -62.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.42 165.78 26.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.771 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.99 -153.47 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.87 150.27 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -125.26 102.9 7.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.9 p90 -97.26 92.38 5.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.771 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.23 174.13 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.903 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -114.42 52.5 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -79.84 138.52 37.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -129.72 96.82 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.09 149.61 15.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 29.58 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.5 176.56 41.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.28 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.302 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -14.81 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -131.5 141.57 49.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.016 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 29' ' ' SER . 6.2 tt -112.14 133.97 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.603 ' O ' HD23 ' A' ' 28' ' ' LEU . 86.9 p -67.31 150.31 49.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.199 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.4 mt -140.72 130.04 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.703 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -119.21 160.05 22.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 42.8 mt -71.67 132.12 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 -3.32 66.56 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.635 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.825 ' O ' HG22 ' A' ' 50' ' ' THR . 1.2 m -91.95 161.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 30' ' ' LEU . 5.6 m -142.27 137.19 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.588 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -105.93 108.52 20.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.158 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mt -85.02 130.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.7 pp -118.74 -33.54 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.549 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.86 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -131.87 143.2 50.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.827 HG22 ' CG ' ' A' ' 46' ' ' TYR . 3.1 p -129.16 -179.52 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 4.2 t80 178.15 36.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 56.86 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.781 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.58 35.54 81.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.046 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.802 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.84 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.827 ' CG ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -119.74 146.99 45.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 111.205 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' CA ' HG22 ' A' ' 59' ' ' ILE . 30.3 ttt180 -104.51 151.47 23.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.607 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.02 -159.94 33.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.602 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -147.1 152.25 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -80.23 154.36 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.98 -31.13 69.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -69.37 -60.77 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 86.31 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.96 -30.53 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m -64.5 -50.7 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 147.74 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HE3' HD21 ' A' ' 39' ' ' LEU . 16.3 mtpt -138.07 148.21 44.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -168.1 -177.71 39.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.484 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.8 pt -117.55 155.06 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.6 p90 -149.29 151.83 34.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 95.2 Cg_endo -80.37 141.83 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.626 2.217 . . . . 0.0 112.343 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.07 -9.77 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -49.24 -25.27 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 42.0 p90 -136.45 29.77 2.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.773 0.321 . . . . 0.0 111.836 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.468 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.4 mm -107.7 132.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 111.187 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -135.85 114.68 12.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.45 146.76 52.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.06 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -108.09 -172.42 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.29 96.26 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.88 112.99 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.92 123.64 59.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.7 151.31 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.66 126.3 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.623 0.249 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 p -96.94 32.91 2.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.718 0.294 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -92.21 51.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.407 . . . . 0.0 110.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -178.2 -171.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.627 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.476 HG13 ' HD2' ' A' ' 6' ' ' PRO . 40.6 t -95.0 137.53 22.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.711 0.291 . . . . 0.0 111.269 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD2' HG13 ' A' ' 5' ' ' VAL . 61.1 Cg_endo -71.51 146.47 49.83 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.551 2.167 . . . . 0.0 112.218 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.763 HG22 HG23 ' A' ' 41' ' ' THR . 5.2 p -86.67 55.68 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -83.31 -179.0 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.09 31.39 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 67' ' ' LEU . 2.5 mt-10 -129.21 -179.8 5.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -119.75 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.56 -75.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.27 177.96 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 178.35 18.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 68' ' ' LYS . 25.8 t -108.48 142.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.22 105.3 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.9 p90 -100.7 92.15 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.824 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.76 175.8 11.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.016 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.95 57.31 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.104 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -85.48 146.29 27.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.1 115.6 15.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.731 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.88 133.28 54.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.33 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.95 41.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.15 -166.87 21.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.372 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.78 70.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.26 -33.8 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.51 163.18 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 29' ' ' SER . 8.2 tt -126.94 128.69 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.66 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -65.66 143.01 57.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD21 ' CG1' ' A' ' 36' ' ' VAL . 4.7 mt -131.81 139.13 48.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.641 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -131.31 164.35 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 18.9 mt -71.51 134.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -7.41 61.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.33 143.83 26.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 111.065 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.9 m -102.63 134.99 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -124.01 141.27 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -97.96 108.36 21.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.7 mp -64.1 112.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.5 tm? -95.57 -27.56 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.639 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.4 mt-10 -144.32 158.71 43.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.763 HG23 HG22 ' A' ' 7' ' ' THR . 34.1 p -132.51 169.4 16.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 46.7 t80 -178.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.303 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 51.95 94.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 28.96 66.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.902 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.855 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.34 92.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.849 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.25 147.1 44.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.463 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.1 ttm180 -113.01 123.8 51.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.352 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.12 -176.3 26.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.695 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -124.13 140.35 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -73.33 147.95 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.6 mm? -57.96 -30.83 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -80.58 -45.2 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.08 83.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -74.13 -31.56 62.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -71.78 -42.03 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -82.73 118.24 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -109.31 152.04 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.54 -168.53 21.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.583 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.855 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.2 pt -129.91 155.02 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -155.51 152.83 25.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.1 Cg_endo -79.88 146.3 18.39 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.22 -9.65 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.857 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -49.31 -24.82 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.2 p90 -138.96 34.63 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.2 mm -112.36 130.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -126.24 132.8 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.5 mm? -82.57 117.84 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 15' ' ' VAL . 6.4 mmtp -74.51 179.07 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.59 108.36 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.35 96.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.5 mp -68.26 124.94 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.73 121.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.06 173.53 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.264 -1.298 . . . . 0.0 112.524 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p 55.71 29.82 14.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -97.89 -168.25 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 3.6 t90 -95.06 20.27 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.831 HG22 ' CG ' ' A' ' 40' ' ' GLU . 4.4 t -127.38 89.28 51.82 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.724 0.297 . . . . 0.0 111.375 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.63 -52.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.401 2.734 . . . . 0.0 112.139 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 7' ' ' THR . 13.0 t -44.12 119.23 1.71 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 166.19 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 60.48 30.3 19.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.85 123.0 43.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.66 36.58 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.92 175.59 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.625 ' CE2' HD11 ' A' ' 51' ' ' LEU . 1.2 p90 -129.67 179.37 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 35' ' ' THR . . . -134.77 -157.18 7.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG23 ' HG3' ' A' ' 68' ' ' LYS . 45.1 t -131.29 154.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.18 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -130.65 108.37 9.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 29.8 p90 -101.85 92.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.0 110.997 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.51 174.84 12.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.023 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -120.43 63.8 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.371 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.88 141.7 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.133 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.7 151.26 32.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -96.71 131.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.255 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -103.07 29.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.39 176.64 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.272 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.18 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -42.81 91.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -104.27 -176.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -142.73 129.7 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.7 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 58.7 p -72.2 113.44 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HG11 ' A' ' 36' ' ' VAL . 8.8 mt -110.58 133.9 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.243 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -127.5 156.12 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 22.5 mt -66.26 131.82 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.81 -1.99 63.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.768 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.4 140.12 30.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' GLY . 21.7 m -91.94 144.79 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.094 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.835 HG11 HD21 ' A' ' 30' ' ' LEU . 15.8 m -134.55 140.37 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -106.84 108.98 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.164 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.16 128.69 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.704 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.7 pp -110.51 -33.96 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.178 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.831 ' CG ' HG22 ' A' ' 5' ' ' VAL . 4.1 mt-10 -123.58 166.56 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 40' ' ' GLU . 18.9 p -161.49 -179.18 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.196 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.1 t80 179.25 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.638 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 177.04 102.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.57 24.88 60.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.651 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.732 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -160.98 92.05 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.86 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -119.69 166.55 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 111.337 -179.05 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' ILE . 20.7 ttt180 -122.38 154.39 37.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.517 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 176.36 -164.23 33.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -153.58 134.18 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 36' ' ' VAL . 30.1 p -65.49 143.74 57.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 13' ' ' TYR . 2.1 mt -58.51 -29.47 66.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -33.44 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -126.52 67.59 1.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -65.83 -28.22 68.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -65.94 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.91 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -126.52 171.13 11.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' LEU . . . 179.83 -163.6 30.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 7.4 pt -118.53 155.07 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -149.28 151.05 33.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 71.8 Cg_endo -77.29 140.51 19.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 0.0 112.396 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.86 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.28 -9.69 54.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -49.33 -24.81 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HE1' HD13 ' A' ' 30' ' ' LEU . 26.8 p90 -136.78 25.28 3.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.932 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.5 mm -99.3 134.45 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -135.01 112.37 10.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.82 146.66 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HG3' HG23 ' A' ' 15' ' ' VAL . 9.4 mttp -119.99 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.27 109.39 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.16 103.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.516 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.3 mp -76.91 148.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 m -105.02 118.24 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.14 127.97 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.499 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -87.94 102.43 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.63 151.43 23.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.498 ' CD1' ' CD2' ' A' ' 42' ' ' TYR . 3.7 t90 -109.47 27.58 9.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.52 HG12 ' CG ' ' A' ' 40' ' ' GLU . 3.7 m -124.87 88.71 53.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 111.606 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HG2' ' OG1' ' A' ' 41' ' ' THR . 86.8 Cg_endo -90.09 -20.02 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.925 2.416 . . . . 0.0 112.475 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.465 ' HB ' ' OG1' ' A' ' 41' ' ' THR . 3.9 t -62.7 120.21 10.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.749 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 92.79 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 62.46 148.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -174.97 125.23 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.68 -36.76 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.09 150.03 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.004 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -104.3 169.06 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.23 -172.61 14.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.7 150.13 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -126.87 105.34 8.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.4 p90 -99.52 92.17 5.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.67 174.97 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -115.11 51.14 0.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.185 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -78.17 136.41 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.308 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -125.81 105.0 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.577 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -62.88 157.22 22.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -130.72 28.82 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.29 -174.8 38.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.394 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.62 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.47 -31.66 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -120.44 165.04 15.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.577 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.5 tt -132.24 131.84 42.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 92.2 p -65.32 128.48 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 36' ' ' VAL . 4.6 mt -119.14 130.98 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.48 159.34 26.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 38.4 mt -70.86 136.28 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.22 -2.64 78.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.728 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.27 147.85 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.347 . . . . 0.0 111.213 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 13' ' ' TYR . 5.5 m -97.42 153.63 17.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.322 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 30' ' ' LEU . 26.9 m -142.19 137.16 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.001 0.429 . . . . 0.0 111.771 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -99.4 108.36 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.218 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.659 HD12 HD21 ' A' ' 67' ' ' LEU . 9.9 mt -78.78 130.29 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.756 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 40' ' ' GLU . 4.1 pp -112.34 -39.94 4.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.078 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.561 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.4 mt-10 -116.39 166.65 11.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.059 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 46' ' ' TYR . 10.9 p -153.98 176.46 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.8 OUTLIER 176.46 35.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 54.6 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.89 33.94 59.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.967 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.48 86.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.37 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -119.7 155.55 32.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.965 0.412 . . . . 0.0 111.37 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HG3' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -112.56 149.18 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.696 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.53 -176.72 46.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -130.45 132.51 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -60.9 157.94 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -68.01 -31.11 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -71.39 -36.46 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 99.83 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -32.08 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 p -69.1 -29.05 67.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -86.47 137.35 32.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -128.43 156.45 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.761 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -173.36 174.89 46.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 1.7 pt -117.8 155.05 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -155.48 153.87 27.28 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 Cg_exo -73.92 140.87 29.29 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.796 2.331 . . . . 0.0 111.953 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.46 -10.13 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.64 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -49.69 -26.31 3.65 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.704 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 50.6 p90 -135.72 41.55 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.298 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CE1' ' A' ' 60' ' ' PHE . 38.6 mm -123.17 134.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.086 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -137.32 113.53 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.659 HD21 HD12 ' A' ' 38' ' ' ILE . 17.4 mt -77.47 130.14 36.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -115.08 -167.75 1.28 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.61 -153.14 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.433 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.93 -178.0 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.945 0.403 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -123.01 83.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.9 m -99.94 98.94 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.209 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.97 133.19 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.469 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.737 0.303 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 92.62 3.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 166.95 20.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.507 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.3 111.5 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 m -58.63 131.31 85.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.336 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.05 169.32 20.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.132 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.601 HG23 ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -127.85 87.43 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.838 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -108.83 -178.78 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 62.88 61.14 1.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -150.15 -58.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 55.12 29.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -145.95 142.46 28.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.68 ' CE2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -103.25 177.03 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 175.72 21.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.551 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 68' ' ' LYS . 32.5 t -98.8 146.5 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.28 106.71 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 7.3 p90 -94.11 92.08 7.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 0.0 110.511 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -161.66 159.02 26.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.122 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -107.0 58.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.083 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.58 134.69 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.412 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -121.91 109.36 14.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -65.02 128.59 36.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -77.88 -26.33 49.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.36 -159.0 9.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.84 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.308 . . . . 0.0 111.241 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -36.63 70.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -124.16 157.02 35.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 53' ' ' LYS . 7.4 tt -113.46 135.02 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.491 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -70.25 137.9 51.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 36' ' ' VAL . 9.9 mt -119.85 130.0 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.637 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -119.46 145.86 45.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 48.0 mt -61.67 125.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -2.13 58.7 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.732 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.32 143.34 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.7 m -94.74 154.25 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -142.13 138.62 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.508 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -97.91 108.54 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.36 133.69 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.732 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.6 pp -123.9 -36.75 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.658 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.805 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -122.4 151.1 41.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.601 ' CG2' HG23 ' A' ' 7' ' ' THR . 9.4 t -139.18 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.439 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 52.7 t80 -177.33 36.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.192 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.42 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.615 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 64.31 36.45 93.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.854 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.858 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.65 91.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.472 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.67 147.08 44.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.92 0.391 . . . . 0.0 111.215 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' CA ' HG22 ' A' ' 59' ' ' ILE . 6.1 ttm-85 -107.14 144.19 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.71 37.45 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -132.43 139.06 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -67.74 149.35 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD11 ' CE2' ' A' ' 13' ' ' TYR . 4.2 mm? -59.32 -30.8 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -73.46 -67.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 28' ' ' LEU . 44.6 pttt -97.89 79.82 2.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -30.66 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 m -59.33 -31.14 68.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.09 151.92 21.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -136.12 153.9 51.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.44 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -170.13 -165.34 27.34 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.858 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.4 pt -134.1 166.05 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.3 p90 -159.93 159.0 27.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.8 140.35 31.98 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.968 2.446 . . . . 0.0 112.091 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.82 60.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.792 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.31 11.43 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.44 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' HD13 ' A' ' 65' ' ' ILE . 41.8 m-85 -143.24 33.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 60' ' ' PHE . 14.8 mm -128.28 161.38 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.927 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 65' ' ' ILE . 18.4 t60 -148.54 112.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.024 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.2 mm? -69.11 119.31 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 15' ' ' VAL . 7.8 mmtt -112.66 -178.83 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.75 101.19 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.648 ' HB3' ' HG3' ' A' ' 12' ' ' LYS . . . -60.47 112.54 2.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.33 128.75 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 72' ' ' VAL . 9.4 m -117.66 86.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -140.25 84.29 1.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.474 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.742 0.305 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -118.47 27.07 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -40.07 77.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.688 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 63.07 173.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.214 179.742 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 16.5 t -109.2 140.48 22.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 84.8 Cg_endo -82.35 28.54 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.549 2.166 . . . . 0.0 113.208 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.475 ' CA ' HG22 ' A' ' 41' ' ' THR . 1.9 t 42.72 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 111.96 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -132.28 82.4 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.583 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.89 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.16 -174.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.89 173.41 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -71.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 37' ' ' HIS . 2.6 p90 -136.57 167.74 20.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.831 0.348 . . . . 0.0 111.074 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 35' ' ' THR . . . -142.9 -150.31 5.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.31 143.61 40.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.05 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -113.53 114.23 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.3 p90 -106.94 92.26 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.507 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -161.59 176.79 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.962 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -117.68 54.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.96 140.38 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.499 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -128.48 102.35 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.62 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -58.48 164.8 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.396 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 28.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 178.42 42.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.17 64.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -30.33 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 163.63 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.979 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt -135.6 136.51 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 28' ' ' LEU . 22.0 p -68.05 137.43 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 36' ' ' VAL . 5.1 mt -129.21 137.39 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.67 159.7 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 8.6 mt -67.17 136.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.227 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 -3.36 79.83 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.721 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.36 139.97 30.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.498 HG22 HD23 ' A' ' 51' ' ' LEU . 12.6 m -92.15 145.47 24.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -138.51 137.49 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 26.0 t-80 -103.86 114.04 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.456 HG23 ' HB3' ' A' ' 46' ' ' TYR . 3.3 mt -81.21 131.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.616 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.409 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.9 pp -117.72 -22.39 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.997 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -133.41 150.38 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.487 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.475 HG22 ' CA ' ' A' ' 7' ' ' THR . 13.7 t -153.67 179.24 9.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.246 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -178.22 -64.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -177.5 101.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.43 26.54 69.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.118 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.702 ' HA ' ' HE3' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -159.43 100.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.8 m-85 -119.64 147.11 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.705 ' HB2' HG22 ' A' ' 59' ' ' ILE . 11.4 ttp180 -114.46 148.58 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.518 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 177.51 -155.61 18.06 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.683 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -146.65 140.93 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.506 HG23 HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.08 151.92 46.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.498 HD23 HG22 ' A' ' 35' ' ' THR . 3.6 mm? -59.5 -30.75 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -78.94 -46.54 18.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -104.42 86.71 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -77.71 -33.33 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -70.11 -30.0 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.63 148.48 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -136.09 154.56 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -172.39 -175.75 40.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.596 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.705 HG22 ' HB2' ' A' ' 47' ' ' ARG . 13.2 pt -124.02 155.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -151.55 149.43 24.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 73.2 Cg_endo -76.14 138.17 20.07 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -66.57 -9.72 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.914 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.42 -24.61 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 14.6 p90 -135.75 19.4 3.29 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 60' ' ' PHE . 46.5 mm -94.5 144.88 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.228 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -139.69 112.45 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.67 133.91 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -177.35 6.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -77.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -177.26 105.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -135.33 146.45 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.052 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.74 179.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.63 141.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.477 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -86.04 -35.46 20.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -136.65 -44.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -68.23 161.83 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 21.5 t -88.06 139.35 30.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 90.4 Cg_endo -83.75 23.41 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.736 2.29 . . . . 0.0 113.025 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.464 ' HB ' HG22 ' A' ' 41' ' ' THR . 2.1 t 43.34 94.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.794 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -114.54 82.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.76 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 175.27 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.5 160.59 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -94.25 -55.04 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' HIS . 6.5 ttpt -157.43 -66.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -156.32 168.61 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 35' ' ' THR . . . -135.51 -156.22 7.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -125.69 146.44 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.736 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -120.23 106.77 12.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.3 p90 -101.62 92.19 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.35 175.89 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.032 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.95 60.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -101.31 144.88 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.04 154.34 36.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.67 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -97.16 167.16 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -133.58 29.81 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.65 -171.11 26.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.366 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.0 68.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.13 -31.82 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.19 170.65 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.639 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -139.79 134.22 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.67 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 14.8 p -73.75 139.73 45.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.174 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 16' ' ' ALA . 2.2 mt -129.76 137.44 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -130.23 163.8 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 13.3 mt -69.75 134.43 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.85 -5.85 64.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.815 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.28 149.24 21.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 14' ' ' GLY . 7.6 m -102.88 146.6 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 50' ' ' THR . 4.9 m -135.04 140.48 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.577 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.5 t-160 -103.15 111.88 24.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.508 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.13 121.62 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.41 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -110.83 -24.61 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.794 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.4 mt-10 -131.94 151.14 51.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 ' HB ' ' A' ' 7' ' ' THR . 15.2 t -148.61 -179.7 7.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -177.69 -65.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 179.87 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.05 28.29 60.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.002 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.78 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -164.36 99.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.6 m-85 -119.74 160.9 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.48 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' CA ' HG22 ' A' ' 59' ' ' ILE . 20.2 ttt180 -122.08 130.16 53.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.57 -163.54 13.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.618 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -142.75 125.8 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.673 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.9 147.47 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.59 -30.57 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -75.62 -33.26 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -118.38 81.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -71.78 -31.36 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.99 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -77.34 -40.87 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 136.07 36.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -123.15 150.95 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -165.15 -171.79 31.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.69 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.78 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.6 pt -128.85 155.04 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -149.93 154.52 37.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.6 Cg_endo -77.78 138.9 17.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.461 2.107 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -67.81 -9.72 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.913 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -49.37 -24.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.691 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 40.2 p90 -137.35 24.18 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.6 mm -99.9 132.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.166 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -131.18 121.12 24.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 67' ' ' LEU . 3.9 mm? -74.2 135.61 42.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -109.62 -175.92 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.89 55.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.89 53.3 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.87 176.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 72' ' ' VAL . 12.3 p -144.91 54.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.17 85.23 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.467 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.898 0.38 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p -108.7 -48.59 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -151.94 -47.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.559 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CE3' HG22 ' A' ' 5' ' ' VAL . 2.0 t90 -119.59 -167.18 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.773 HG22 ' CE3' ' A' ' 4' ' ' TRP . 10.5 m -50.83 141.61 17.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -86.59 115.1 1.26 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.796 2.33 . . . . 0.0 112.389 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.89 ' HB ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -98.47 121.94 41.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.641 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -60.63 178.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.4 85.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.6 tp10 -100.35 -63.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 59.07 173.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.86 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 13.7 mttp 60.62 167.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' A' ' 70' ' ' ALA . 2.2 p90 -114.2 166.03 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' THR . . . -127.36 -156.15 9.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.79 149.53 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -123.97 110.96 15.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 16.0 p90 -105.57 92.19 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.442 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.69 178.26 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.015 179.462 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -117.13 54.36 0.87 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.192 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.44 127.2 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.56 86.16 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.67 163.72 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -139.17 30.03 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.31 171.83 39.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.411 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.62 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.1 -32.27 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -104.1 -178.41 3.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.799 HD12 ' CA ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.25 130.43 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -78.39 114.01 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.694 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.7 mt -119.04 142.87 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.61 162.16 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.0 mt -68.64 133.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.28 -5.85 61.16 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.724 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -95.29 147.04 23.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' HD23 ' A' ' 51' ' ' LEU . 26.3 m -98.08 141.86 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.548 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 30' ' ' LEU . 28.6 m -128.19 143.45 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -102.59 108.31 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.319 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 HD11 ' A' ' 67' ' ' LEU . 5.3 mt -66.86 114.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.144 0.497 . . . . 0.0 111.296 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.905 HD23 ' HG2' ' A' ' 40' ' ' GLU . 6.0 tt -95.13 -48.34 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.548 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.905 ' HG2' HD23 ' A' ' 39' ' ' LEU . 4.7 mm-40 -132.45 155.43 48.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.95 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.89 HG22 ' HB ' ' A' ' 7' ' ' THR . 13.0 t -151.41 171.67 17.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.46 ' CD2' HG12 ' A' ' 5' ' ' VAL . 15.2 t80 -169.82 -66.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.703 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.97 100.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.64 80.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.224 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.857 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.0 88.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 110.337 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -119.56 147.0 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.096 -179.418 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HD2' HD22 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.71 141.05 36.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.14 -165.2 20.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.588 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -149.03 127.49 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -64.64 165.47 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.588 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -74.1 -32.0 63.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -68.54 -50.84 48.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -120.22 75.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE3' HD13 ' A' ' 51' ' ' LEU . 18.0 mttt -67.23 -30.12 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.3 113.44 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -95.45 150.15 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD12 ' A' ' 28' ' ' LEU . . . -160.69 -175.57 31.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.857 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -123.68 155.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.261 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.0 p90 -149.03 151.24 34.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.018 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 7.6 Cg_exo -72.39 143.01 38.09 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.842 2.361 . . . . 0.0 112.419 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.66 -10.07 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.884 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.9 p -52.36 -22.67 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 51.6 p90 -139.35 41.74 2.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 62' ' ' ALA . 23.8 mm -118.37 130.81 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.968 0.414 . . . . 0.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -140.64 114.56 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.526 HD11 HD13 ' A' ' 38' ' ' ILE . 9.5 mp -61.85 144.62 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.87 168.87 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.72 94.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.86 ' HB3' ' HG2' ' A' ' 12' ' ' LYS . . . -70.4 113.7 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pt -62.74 137.76 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.1 t -115.17 85.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.032 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 60.37 98.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.487 -1.174 . . . . 0.0 112.429 -179.882 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mtt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.856 0.36 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.609 HG22 ' CG1' ' A' ' 5' ' ' VAL . 7.7 p -60.01 143.54 51.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.31 -46.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 13.3 t90 -122.99 26.47 8.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 p -130.28 88.66 47.1 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.551 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.37 -12.29 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.205 2.603 . . . . 0.0 112.52 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 t -67.38 93.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.249 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 82.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.36 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 4.0 tmm_? 69.85 -71.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 63.19 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.349 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.8 tt0 -167.09 170.31 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 37' ' ' HIS . 2.7 tttp -66.94 -76.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 172.86 13.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.59 -156.6 6.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 68' ' ' LYS . 51.9 t -123.65 154.71 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.575 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -129.02 117.59 21.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.9 p90 -107.97 92.67 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.984 0.421 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -160.94 173.32 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.08 61.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.395 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -98.14 134.5 41.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.037 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.16 115.7 24.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -72.45 159.24 34.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.317 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -106.86 -28.34 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.4 -161.77 10.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.432 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.03 -27.87 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.5 -35.25 69.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.016 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -176.57 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -141.93 134.29 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.39 110.16 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -102.39 136.54 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -131.58 154.55 48.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.2 mt -66.57 133.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.64 -2.88 67.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.631 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.3 143.19 26.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 50' ' ' THR . 42.7 m -93.59 136.16 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.406 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' THR . 13.4 m -121.81 137.2 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.626 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' LYS . 2.1 t-80 -101.39 108.14 19.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.91 138.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.436 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.571 HD13 ' C ' ' A' ' 39' ' ' LEU . 3.3 tm? -123.37 -45.54 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.444 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 3.0 mt-10 -133.33 156.71 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.288 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 46' ' ' TYR . 71.0 p -138.73 175.62 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.383 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -179.09 37.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.12 100.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.28 88.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.042 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.903 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.82 91.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.633 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.875 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.64 147.06 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 111.528 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -109.02 138.26 45.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.477 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.85 179.92 44.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.635 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -123.36 146.87 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -77.99 159.32 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.11 -36.25 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -59.98 -32.46 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 91.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -67.78 -28.91 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -30.96 66.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.626 ' HG2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.43 130.79 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 134.38 48.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.847 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -158.47 -172.18 25.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.57 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.903 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.9 pt -118.7 154.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.001 0.429 . . . . 0.0 111.312 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.7 p90 -154.74 147.99 18.33 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 Cg_endo -77.93 141.97 19.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.42 2.08 . . . . 0.0 112.395 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.68 -9.82 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.917 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.3 p -49.58 -24.68 2.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 22.9 p90 -132.94 18.71 4.14 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.433 HG13 ' CE1' ' A' ' 60' ' ' PHE . 50.6 mm -94.57 145.09 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 0.0 111.239 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -146.88 114.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 11' ' ' GLU . 3.8 mm? -57.67 141.65 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -88.5 -177.05 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.98 93.16 9.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.59 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 71' ' ' ILE . 2.3 pp -126.93 156.96 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 72' ' ' VAL . 15.0 p -76.86 119.8 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.59 145.26 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.567 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.777 0.322 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p 54.8 178.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.71 137.45 25.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.418 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.28 117.17 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.825 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG23 HG23 ' A' ' 41' ' ' THR . 2.8 m -58.03 150.58 49.86 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.377 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -88.06 34.43 0.4 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.998 2.465 . . . . 0.0 112.611 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.484 ' HB ' HG22 ' A' ' 41' ' ' THR . 1.7 t 42.82 92.35 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 111.5 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.0 168.08 9.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mpp_? 60.43 30.14 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.95 176.33 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -62.97 1.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.91 -62.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 2.4 p90 -159.32 164.32 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.73 -175.85 14.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.619 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.737 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.5 t -103.27 150.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -125.06 112.98 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 10.0 p90 -103.29 92.21 4.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.611 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 24.1 t80 -161.56 163.62 30.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.05 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -111.45 57.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.39 132.95 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.284 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -122.06 95.68 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.627 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -60.97 144.46 53.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.238 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.82 27.95 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.761 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.96 -179.48 46.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.26 64.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.325 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.41 -40.31 86.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.04 165.61 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -131.7 135.03 46.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 28' ' ' LEU . 23.5 m -65.74 129.56 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -117.21 135.92 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.611 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -130.52 148.0 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 6.7 mt -62.31 140.61 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.91 -7.56 81.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.834 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.72 136.97 32.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 m -92.06 131.54 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.49 HG12 ' CG2' ' A' ' 50' ' ' THR . 8.1 m -115.44 138.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.539 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -97.97 108.34 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.66 122.47 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.608 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.69 HD11 ' HD3' ' A' ' 47' ' ' ARG . 4.0 pp -114.82 -25.8 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -131.4 149.78 52.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.617 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.56 HG23 HG23 ' A' ' 5' ' ' VAL . 8.8 t -155.28 179.7 8.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.104 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -177.83 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 179.02 102.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.6 30.46 74.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.976 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.717 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -165.83 99.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 3.5 m-85 -119.63 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.947 0.403 . . . . 0.0 111.416 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.69 ' HD3' HD11 ' A' ' 39' ' ' LEU . 6.3 ttt85 -117.43 144.13 45.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.262 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.72 -157.23 16.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.686 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.46 141.79 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.49 ' CG2' HG12 ' A' ' 36' ' ' VAL . 16.2 p -76.0 157.46 33.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.46 -30.56 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.93 -65.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 101.09 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -75.57 -33.08 60.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -30.6 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 119.51 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -119.37 153.61 34.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -174.75 -177.82 44.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.594 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.717 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 13.4 pt -114.61 155.11 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 p90 -147.95 156.11 44.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.244 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.6 Cg_exo -63.81 142.4 82.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.645 2.23 . . . . 0.0 111.832 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.43 -41.74 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.697 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -57.13 -23.42 47.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.479 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 35.9 m-85 -104.24 38.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.047 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.7 mm -139.41 158.08 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 65' ' ' ILE . 7.6 t60 -148.64 112.5 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -63.13 131.73 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.737 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -101.63 177.63 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.92 -58.16 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . . . 62.24 119.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mt 64.21 117.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.89 108.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 60.06 173.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.551 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -148.69 -151.32 5.43 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.03 148.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.36 113.31 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.802 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 22.2 p90 -107.0 92.24 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.016 0.436 . . . . 0.0 110.944 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.65 177.65 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -117.25 53.05 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.04 134.43 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.428 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.86 89.73 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.87 137.34 56.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.332 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -116.98 29.41 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.57 169.45 38.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.29 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.89 -36.64 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.29 -178.19 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.62 132.34 15.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -72.63 120.43 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 HG11 ' A' ' 36' ' ' VAL . 7.0 mt -120.84 137.45 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.77 158.18 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 11.5 mt -67.66 135.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.45 -4.78 64.52 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.724 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.31 150.21 20.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.915 0.388 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' GLY . 46.3 m -104.41 139.84 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.346 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.816 HG11 HD21 ' A' ' 30' ' ' LEU . 29.4 m -129.53 138.0 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.657 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -100.28 108.43 20.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.853 HD12 HD21 ' A' ' 67' ' ' LEU . 3.7 mt -76.69 128.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.601 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.746 HD12 ' HG2' ' A' ' 40' ' ' GLU . 3.8 pp -112.44 -29.96 7.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.593 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.746 ' HG2' HD12 ' A' ' 39' ' ' LEU . 14.6 mm-40 -129.95 165.33 22.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.491 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t -157.15 166.79 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -174.92 34.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.33 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 65.61 102.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.018 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 37.4 94.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.223 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.865 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.45 92.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.9 m-85 -119.33 159.33 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.056 0.455 . . . . 0.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 9.8 ttt180 -123.14 150.79 42.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.691 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 175.78 -152.86 13.68 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.629 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -154.66 145.26 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -69.83 148.37 49.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 HG22 ' A' ' 35' ' ' THR . 4.4 mm? -57.6 -29.39 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -116.93 78.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -77.08 -30.33 55.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -68.16 -30.9 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 146.16 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.91 143.95 41.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.708 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -166.99 -179.88 40.32 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.552 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.865 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 8.0 pt -111.87 161.58 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.368 . . . . 0.0 111.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.9 p90 -157.4 149.87 17.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 12.2 Cg_exo -70.15 135.28 29.14 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.728 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.5 -10.13 58.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.654 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -51.01 -24.7 3.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.881 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' HE1' HD13 ' A' ' 30' ' ' LEU . 49.3 p90 -132.19 28.01 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.4 mm -107.97 134.94 48.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.021 0.439 . . . . 0.0 111.26 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -135.83 112.33 9.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.692 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.853 HD21 HD12 ' A' ' 38' ' ' ILE . 18.7 mt -72.43 139.13 47.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.833 0.349 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.633 ' O ' HG23 ' A' ' 35' ' ' THR . . . -137.9 -165.4 10.34 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 68' ' ' LYS . 47.5 t -120.52 148.64 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -126.52 116.96 21.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.3 p90 -109.28 92.4 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.55 173.39 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.966 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -113.96 49.88 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.152 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -77.11 139.5 40.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.329 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -135.04 103.84 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 137.12 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.335 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -92.46 -22.27 19.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.37 177.02 18.55 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.96 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.55 -34.64 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -173.33 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 53' ' ' LYS . 4.5 tt -151.08 126.47 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -64.75 128.05 34.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -110.56 134.73 52.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.725 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.86 156.47 42.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.7 mt -69.26 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 -4.66 86.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -95.31 144.8 25.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 14' ' ' GLY . 88.8 m -99.8 130.17 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 30' ' ' LEU . 5.1 m -114.73 138.99 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.454 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -97.91 108.35 21.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 67' ' ' LEU . 3.0 mm -61.92 106.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -94.02 -31.04 14.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.7 142.32 28.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 t -144.55 -178.95 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 111.193 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -178.29 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.786 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -177.97 101.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 34.15 87.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.101 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.984 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.25 93.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.824 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 m-85 -119.68 146.99 45.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.013 0.435 . . . . 0.0 111.202 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.65 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.7 ttt180 -117.75 121.26 40.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 -163.43 9.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 49' ' ' TYR . 24.1 p90 -138.83 131.49 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.18 157.26 31.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.2 mm? -66.45 -30.64 71.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.7 mmt-85 -67.95 -52.75 32.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -118.46 80.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.991 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 51' ' ' LEU . 46.2 mttt -68.37 -31.48 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -31.47 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -91.88 153.64 19.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.42 149.46 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -159.0 175.41 35.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.984 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 9.1 pt -109.65 155.08 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.9 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CE1' HG13 ' A' ' 65' ' ' ILE . 8.3 p90 -157.72 144.12 12.96 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 7.8 Cg_exo -72.36 142.19 36.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.471 2.114 . . . . 0.0 111.95 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.824 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.55 -9.92 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.7 t -49.65 -25.06 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 46.7 p90 -134.33 26.19 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 60' ' ' PHE . 35.9 mm -105.68 136.25 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.106 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -141.62 112.38 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 38' ' ' ILE . 59.8 mt -68.04 139.62 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 15' ' ' VAL . 10.7 mmtm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.867 0.365 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.42 -157.14 8.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.388 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -127.19 149.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.98 108.48 12.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.3 p90 -102.41 92.3 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.42 174.79 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.529 HD21 HD11 ' A' ' 32' ' ' ILE . 15.2 m-80 -120.13 57.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.245 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.36 145.58 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -134.26 115.59 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.53 153.95 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.97 30.55 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.31 176.3 41.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.9 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -30.51 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -113.64 171.56 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 53' ' ' LYS . 4.2 tp -138.84 137.11 36.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -73.85 146.52 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.1 mt -136.57 137.32 40.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -126.46 163.4 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.529 HD11 HD21 ' A' ' 19' ' ' ASN . 30.9 mt -72.74 136.42 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.8 -4.59 72.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.769 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.22 145.29 25.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 111.157 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -92.01 151.07 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.759 ' CG1' HD21 ' A' ' 30' ' ' LEU . 17.7 m -139.37 137.36 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.769 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -108.23 108.43 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.174 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD21 ' A' ' 67' ' ' LEU . 4.2 mt -78.94 131.16 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 pp -108.75 -20.87 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -138.68 151.3 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 t -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.887 0.375 . . . . 0.0 111.213 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -177.76 -68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 179.25 102.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.71 29.92 65.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.008 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -166.99 93.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.812 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.68 157.85 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CA ' HG22 ' A' ' 59' ' ' ILE . 21.7 ttm180 -116.59 133.57 55.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.654 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.65 -161.25 18.37 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.8 p90 -152.63 149.66 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.654 HG22 HG12 ' A' ' 36' ' ' VAL . 37.6 p -81.55 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 54' ' ' LYS . 2.3 mt -59.24 -28.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.29 94.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -137.7 82.24 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 51' ' ' LEU . 32.6 mttt -73.93 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.242 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -54.43 -39.64 67.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -96.98 149.82 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.38 152.92 49.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.835 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -167.31 -172.85 34.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.778 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -125.2 156.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 30' ' ' LEU . 4.3 p90 -151.87 152.45 30.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 10.1 Cg_exo -70.98 140.7 38.65 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.692 2.261 . . . . 0.0 112.027 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.06 58.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.65 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -25.22 4.11 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 51.5 p90 -136.2 43.79 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.299 . . . . 0.0 111.679 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.427 HG13 ' CE1' ' A' ' 60' ' ' PHE . 22.8 mm -123.49 124.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.206 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.94 119.75 24.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -79.23 132.6 36.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -154.45 141.8 8.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.3 t -96.42 146.75 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -127.13 123.3 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -112.06 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.74 174.09 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.857 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -117.65 55.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.995 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -86.5 147.85 25.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.397 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.82 148.56 49.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -98.23 149.7 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 0.0 111.464 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.37 -20.12 13.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.66 -167.06 16.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.617 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.3 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.252 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -31.08 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.994 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.09 174.84 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 2.9 tt -146.99 133.51 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.526 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 15.1 t -63.8 122.23 15.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -105.1 137.78 42.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -132.93 156.66 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 7.0 mt -67.68 140.78 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -1.33 87.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.699 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.26 139.25 31.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 111.368 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' THR . 6.8 m -93.27 151.01 20.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.075 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 50' ' ' THR . 28.8 m -140.39 141.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.842 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -99.68 107.97 20.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.692 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.609 HD12 HD21 ' A' ' 67' ' ' LEU . 23.2 mt -71.9 108.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.611 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.601 ' C ' HD13 ' A' ' 39' ' ' LEU . 2.0 tm? -92.94 -42.07 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.336 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.3 mt-10 -123.92 166.47 15.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.529 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 46' ' ' TYR . 16.1 m -147.99 167.09 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.679 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 3.7 t80 -176.33 37.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 111.398 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 100.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.627 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.45 26.6 64.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.766 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 1.011 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -163.23 93.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.835 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.38 151.55 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.308 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -116.32 100.7 8.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.678 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.83 168.76 22.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.589 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -110.38 138.42 46.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -68.39 148.7 50.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.1 mm? -62.8 -37.67 87.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -30.14 63.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.542 ' NZ ' HD11 ' A' ' 28' ' ' LEU . 3.5 mtpm? -121.16 74.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 51' ' ' LEU . 26.5 mttp -80.85 -0.96 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -83.26 -31.04 27.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.131 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -121.63 154.29 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.215 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.07 155.36 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -151.77 -177.64 25.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.806 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.011 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 4.0 pt -126.47 154.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.662 0.268 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -159.95 152.94 18.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.0 Cg_endo -80.74 143.5 14.88 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.618 2.212 . . . . 0.0 112.249 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.835 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.82 -9.73 52.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.852 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -49.46 -25.07 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 36.8 p90 -134.31 25.47 3.82 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.435 HG13 ' CE1' ' A' ' 60' ' ' PHE . 43.8 mm -104.29 146.78 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.271 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.55 112.33 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD21 HD12 ' A' ' 38' ' ' ILE . 68.4 mt -68.28 140.03 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.731 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.91 168.98 24.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.84 144.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.769 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -122.91 103.78 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.22 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -93.35 92.34 7.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.427 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.496 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 16.7 t80 -161.38 166.01 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.863 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -113.82 52.14 0.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.455 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' HB3' ' CB ' ' A' ' 30' ' ' LEU . 3.2 t80 -78.28 142.48 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -138.99 86.64 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 150.11 23.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -107.74 -20.9 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.97 -176.82 14.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.43 -26.82 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.12 -30.58 62.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -121.99 174.05 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 29' ' ' SER . 6.7 tt -137.56 136.02 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.53 129.45 41.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB1' ' A' ' 16' ' ' ALA . 12.4 tp -116.43 126.38 53.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -117.69 153.26 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.67 133.58 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.87 -1.51 80.87 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.848 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.26 144.04 26.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.6 m -91.99 157.45 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 50' ' ' THR . 10.2 m -146.35 137.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.411 . . . . 0.0 111.655 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -98.02 109.66 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.364 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.75 134.58 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.65 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 40' ' ' GLU . 2.2 pp -121.18 -32.04 3.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.805 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.737 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.8 mm-40 -127.02 143.68 51.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.72 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -132.51 172.51 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 44.2 t80 -177.19 37.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.976 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 62.23 99.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.744 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.94 39.6 97.21 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.151 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.887 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.96 91.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.839 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.73 154.68 33.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' HB2' HG22 ' A' ' 59' ' ' ILE . 27.7 ttt180 -118.6 146.89 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.226 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.93 -160.67 24.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.743 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 2.1 p90 -136.45 139.59 42.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -69.87 154.68 41.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD21 ' CD2' ' A' ' 13' ' ' TYR . 3.6 mm? -63.99 -29.35 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -83.43 -48.85 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -102.58 81.89 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -68.99 -30.15 68.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -70.08 -54.28 13.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -67.69 138.38 56.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -137.94 145.13 41.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -163.4 -176.66 35.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.667 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.887 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.5 pt -109.77 155.16 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 65' ' ' ILE . 7.1 p90 -152.24 152.76 30.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 65' ' ' ILE . 60.6 Cg_endo -71.96 143.15 40.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.05 -26.82 64.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 m -61.04 -22.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.295 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 43.2 m-85 -114.81 41.23 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.211 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.1 mm -138.23 159.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.947 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 65' ' ' ILE . 6.9 t60 -144.85 125.38 14.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 67' ' ' LEU . 1.4 mm? -76.68 123.77 26.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 p90 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.793 0.33 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.62 -162.29 9.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.506 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.606 HG21 ' HE3' ' A' ' 68' ' ' LYS . 27.3 t -117.09 143.4 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.55 114.27 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.7 p90 -108.15 92.42 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.766 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.36 173.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.897 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -120.83 61.05 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.205 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -98.25 141.03 31.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.241 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -127.35 112.91 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.74 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.47 151.96 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.04 -22.86 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.77 -171.97 15.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.28 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.87 -31.42 68.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.5 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 29' ' ' SER . 7.6 tt -143.97 134.13 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.751 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 t -65.89 139.08 58.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.756 HD21 HG11 ' A' ' 36' ' ' VAL . 4.3 mt -131.47 135.63 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -131.3 162.16 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 10.6 mt -69.57 138.22 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.17 71.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.77 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.26 149.39 21.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 111.028 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 14' ' ' GLY . 17.1 m -102.3 145.4 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.756 HG11 HD21 ' A' ' 30' ' ' LEU . 18.3 m -134.9 137.06 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.582 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.436 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 38.1 t60 -99.02 108.18 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.3 mp -64.76 106.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.379 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 39' ' ' LEU . 8.5 tt -86.65 -28.32 23.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.1 151.0 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 10.5 t -130.83 172.67 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -176.88 33.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.4 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.023 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.11 33.88 69.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.325 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -180.0 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.852 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.4 m-85 -119.55 147.19 44.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.945 0.402 . . . . 0.0 111.457 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.498 ' HB2' HG22 ' A' ' 59' ' ' ILE . 10.0 ttt180 -112.91 126.76 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 37' ' ' HIS . . . -153.34 -165.34 13.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.818 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 26.5 p90 -135.29 127.09 29.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.688 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -61.45 145.11 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.36 -29.93 64.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -80.5 -39.26 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 75.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -76.07 -11.71 59.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.375 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -89.51 -30.18 18.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 152.65 19.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' HE2' HD13 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -130.27 158.53 39.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.716 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -169.77 -172.78 36.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.691 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -123.83 154.99 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.985 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.465 ' HB3' HD12 ' A' ' 30' ' ' LEU . 5.8 p90 -155.01 148.58 18.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.806 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 76.9 Cg_endo -78.15 142.91 19.68 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.57 2.18 . . . . 0.0 112.345 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.852 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.25 -9.7 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 m -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' HE1' HD13 ' A' ' 30' ' ' LEU . 36.0 p90 -135.86 27.54 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.6 mm -105.8 135.9 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -135.81 120.82 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.96 129.77 39.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.606 ' HE3' HG21 ' A' ' 15' ' ' VAL . 40.8 mttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.8 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.858 0.361 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' THR . . . -152.21 -154.05 6.5 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.602 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 68' ' ' LYS . 40.2 t -122.75 154.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 15' ' ' VAL . . . -129.64 105.51 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.62 92.33 6.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.651 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 19.4 t80 -161.41 164.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.414 ' ND2' HD11 ' A' ' 32' ' ' ILE . 37.9 m-80 -112.17 55.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -81.95 146.65 29.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.238 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -132.6 98.08 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.516 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -55.38 121.77 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.404 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 27.57 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.71 169.07 26.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.27 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -59.15 -30.36 68.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.84 170.1 10.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.8 tt -130.39 133.64 46.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 67.7 m -67.19 143.04 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 36' ' ' VAL . 8.4 mt -130.87 136.98 49.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -124.84 154.47 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.414 HD11 ' ND2' ' A' ' 19' ' ' ASN . 48.2 mt -70.53 127.3 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.1 -9.64 59.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.39 146.16 27.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -91.9 149.24 21.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 30' ' ' LEU . 3.1 m -139.91 137.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.549 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -100.3 113.97 27.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.225 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' HZ ' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -78.62 120.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.333 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.5 pp -110.39 -18.8 13.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.38 157.04 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.439 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 14.1 t -157.71 -179.76 8.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -179.4 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.72 102.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.561 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 60.82 31.74 76.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.987 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.808 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -170.74 96.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.7 m-85 -119.53 166.93 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 111.169 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.567 ' CD ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -129.5 146.27 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.456 179.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.645 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . -175.62 -164.3 29.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.747 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -140.12 132.59 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -69.32 143.29 53.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.97 -30.77 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -42.35 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 87.36 2.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.11 -30.53 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.02 -39.75 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 134.22 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -137.9 137.78 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -161.48 -159.63 10.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.686 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.808 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -126.53 167.52 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HZ ' HD12 ' A' ' 38' ' ' ILE . 3.1 p90 -159.85 160.38 27.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.31 138.5 36.2 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.838 2.359 . . . . 0.0 112.198 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.69 -10.27 59.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.805 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -87.71 11.23 15.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.268 . . . . 0.0 111.443 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.537 ' O ' HD13 ' A' ' 65' ' ' ILE . 55.0 m-85 -144.13 34.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 64' ' ' TYR . 11.3 mm -134.15 148.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.84 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -148.55 112.4 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 51.2 mt -61.04 144.64 53.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.718 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' NE2' ' A' ' 37' ' ' HIS . 2.0 m-85 . . . . . 0 N--CA 1.46 0.059 0 CA-C-O 120.902 0.382 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' THR . . . -147.89 171.78 28.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 68' ' ' LYS . 39.4 t -123.52 137.03 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.083 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' ' HE1' ' A' ' 64' ' ' TYR . . . -113.82 119.98 39.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.819 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 18.1 p90 -111.44 92.26 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.35 173.19 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -116.31 53.58 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.4 143.07 27.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.266 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -128.12 118.26 23.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.767 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.5 140.77 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -98.91 -20.18 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.005 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -170.89 17.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.412 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.19 64.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -32.05 69.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.72 174.16 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 53' ' ' LYS . 1.9 tt -140.27 129.85 24.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.483 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 3.1 m -60.91 126.09 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -109.71 130.3 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -125.45 153.89 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 27.3 mt -68.65 137.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.9 76.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.72 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.24 134.88 37.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.781 0.324 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 29.3 m -91.93 142.37 27.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.75 HG12 HG23 ' A' ' 50' ' ' THR . 28.6 m -133.71 144.79 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.705 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 36.7 m170 -98.06 108.31 20.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.05 114.55 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.321 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD23 ' C ' ' A' ' 39' ' ' LEU . 8.5 tt -95.34 -38.57 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.653 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -138.18 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.503 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 11.5 t -133.91 -175.21 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.023 0.439 . . . . 0.0 111.342 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -176.62 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -166.27 -65.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.452 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.58 32.12 3.26 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.764 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.801 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -161.13 103.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 4.1 m-30 -119.4 153.39 35.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.424 . . . . 0.0 111.419 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.667 ' CA ' HG22 ' A' ' 59' ' ' ILE . 3.4 ttt180 -118.77 129.96 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.479 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.02 -165.83 16.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.64 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -139.69 129.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.338 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.75 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -64.66 162.77 15.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 37' ' ' HIS . 4.0 mm? -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 9.9 mtp-105 -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 28' ' ' LEU . 31.7 pttt -137.15 91.42 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -74.74 -31.47 61.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -58.57 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -71.69 128.52 36.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.95 161.74 14.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -167.55 -173.09 35.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.586 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.801 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.3 pt -132.74 155.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CE2' HG21 ' A' ' 36' ' ' VAL . 6.6 p90 -151.17 144.15 16.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 13.1 Cg_exo -69.54 145.9 59.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.627 2.218 . . . . 0.0 112.037 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.02 58.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.69 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.2 p -52.39 -23.44 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 50.5 p90 -139.34 40.02 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.511 HD11 ' CD1' ' A' ' 60' ' ' PHE . 33.2 mm -113.06 130.39 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -133.47 112.74 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 67' ' ' LEU . 9.0 mp -58.83 138.94 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG2' HG23 ' A' ' 15' ' ' VAL . 2.4 mmtt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.735 0.303 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.49 179.15 37.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.577 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.6 t -94.72 154.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.813 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -130.52 109.81 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 11.3 p90 -96.95 92.54 6.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.617 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t80 -161.35 163.97 30.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -109.52 52.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.377 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -77.81 141.0 39.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -132.16 97.2 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.662 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.0 126.26 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.326 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -99.66 29.23 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.46 166.09 27.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.86 69.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.252 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -46.37 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.15 157.19 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 29' ' ' SER . 6.6 tt -114.9 134.34 55.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.586 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.4 t -65.23 144.02 57.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.741 HD21 ' HB1' ' A' ' 16' ' ' ALA . 9.5 tp -128.81 126.25 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.34 152.63 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.99 132.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.59 78.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.811 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.21 145.24 25.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.749 ' HB ' HD23 ' A' ' 51' ' ' LEU . 4.6 m -94.58 152.18 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -140.17 137.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 111.52 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.26 109.57 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.03 126.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.8 pp -108.59 -24.08 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -136.56 159.62 41.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 t -148.49 158.39 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 46.0 t80 -165.4 30.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 61.65 99.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.25 31.28 66.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.203 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.807 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.38 94.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.755 0.312 . . . . 0.0 110.284 -179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.6 m-85 -119.61 157.06 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.334 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' CA ' HG22 ' A' ' 59' ' ' ILE . 4.2 ttt180 -121.27 151.58 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.682 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.22 -150.35 12.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.596 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -153.91 150.41 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.491 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -74.87 158.73 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HB ' ' A' ' 35' ' ' THR . 4.6 mm? -66.22 -30.51 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 92.76 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.06 -32.93 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -63.49 -37.06 85.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.46 124.59 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -119.92 140.17 51.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.499 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -164.63 -176.45 36.38 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.493 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.807 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -124.07 155.14 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.001 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 65' ' ' ILE . 5.1 p90 -147.56 156.77 45.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.97 141.48 33.21 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.605 2.203 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.793 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.57 -10.27 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.878 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -87.18 11.34 14.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.604 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.502 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 29.1 m-85 -144.76 33.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' ' 60' ' ' PHE . 18.2 mm -130.28 160.39 41.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.501 ' N ' HG22 ' A' ' 65' ' ' ILE . 4.1 t60 -142.08 112.42 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.5 mm? -68.63 123.51 21.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' THR . . . -138.26 -176.4 14.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' HG3' ' A' ' 68' ' ' LYS . 41.4 t -114.89 145.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -121.87 131.83 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.67 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 17.1 p90 -118.8 92.46 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 111.02 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.509 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.53 172.73 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 179.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -120.02 60.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.21 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -105.44 136.49 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.244 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -118.37 119.99 36.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -63.75 120.67 12.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -76.26 -22.04 55.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.56 -169.6 18.75 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.79 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.669 0.271 . . . . 0.0 111.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.32 -35.32 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.82 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 3.5 tp -132.89 129.57 38.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 53.8 p -70.55 108.94 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.379 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -102.4 128.93 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -123.3 147.73 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.548 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 21.6 mt -60.28 128.89 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.192 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.78 -0.89 63.14 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.37 144.76 25.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.871 0.367 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -98.39 151.03 20.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.385 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 50' ' ' THR . 4.1 m -140.94 137.12 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.955 0.407 . . . . 0.0 111.795 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -99.44 108.86 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.18 130.53 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.846 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 40' ' ' GLU . 3.9 pp -111.03 -38.49 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -119.62 161.0 21.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.966 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.477 HG23 ' CE1' ' A' ' 46' ' ' TYR . 15.1 m -155.03 162.75 40.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.979 0.418 . . . . 0.0 111.31 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.416 ' N ' ' CG2' ' A' ' 41' ' ' THR . 71.6 t80 -162.98 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.585 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -178.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.46 28.23 72.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.384 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.698 ' CE3' ' HA ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -168.42 95.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.833 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.2 m-85 -119.8 158.35 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.339 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.739 ' HG2' HG22 ' A' ' 59' ' ' ILE . 6.5 mmt85 -106.69 146.24 31.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.275 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.76 -174.52 45.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -136.44 144.56 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 110.807 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.468 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -71.02 147.49 48.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 13' ' ' TYR . 2.7 mm? -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -54.76 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -118.12 93.0 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -74.58 -25.05 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -65.18 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.13 146.84 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 158.12 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -179.56 -173.89 45.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.739 HG22 ' HG2' ' A' ' 47' ' ' ARG . 13.2 pt -115.9 160.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 111.483 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.466 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 p90 -156.24 148.72 17.82 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 6.7 Cg_exo -73.68 135.97 22.61 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.397 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.74 -10.12 58.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.674 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -50.76 -25.05 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 52.6 p90 -134.42 42.67 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 31.0 mm -119.93 136.32 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 111.211 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -133.96 112.48 11.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.802 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.0 123.03 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.692 ' HG3' HG23 ' A' ' 15' ' ' VAL . 4.2 mmpt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.898 0.38 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.99 -153.47 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.87 150.27 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -125.26 102.9 7.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.9 p90 -97.26 92.38 5.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.771 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.23 174.13 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.903 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -114.42 52.5 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -79.84 138.52 37.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -129.72 96.82 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.09 149.61 15.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 29.58 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.5 176.56 41.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.28 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.302 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -14.81 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -131.5 141.57 49.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.016 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 29' ' ' SER . 6.2 tt -112.14 133.97 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.603 ' O ' HD23 ' A' ' 28' ' ' LEU . 86.9 p -67.31 150.31 49.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.199 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.4 mt -140.72 130.04 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.703 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -119.21 160.05 22.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 42.8 mt -71.67 132.12 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 -3.32 66.56 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.635 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.825 ' O ' HG22 ' A' ' 50' ' ' THR . 1.2 m -91.95 161.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 30' ' ' LEU . 5.6 m -142.27 137.19 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.588 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -105.93 108.52 20.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.158 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mt -85.02 130.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.7 pp -118.74 -33.54 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.549 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.86 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -131.87 143.2 50.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.827 HG22 ' CG ' ' A' ' 46' ' ' TYR . 3.1 p -129.16 -179.52 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.2 t80 178.15 36.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 56.86 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.781 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.58 35.54 81.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.046 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.802 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.84 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.827 ' CG ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -119.74 146.99 45.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 111.205 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.532 ' CA ' HG22 ' A' ' 59' ' ' ILE . 30.3 ttt180 -104.51 151.47 23.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.607 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.02 -159.94 33.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.602 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -147.1 152.25 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -80.23 154.36 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.98 -31.13 69.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -69.37 -60.77 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 86.31 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.96 -30.53 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m -64.5 -50.7 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 147.74 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HE3' HD21 ' A' ' 39' ' ' LEU . 16.3 mtpt -138.07 148.21 44.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -168.1 -177.71 39.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.484 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.8 pt -117.55 155.06 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.6 p90 -149.29 151.83 34.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 95.2 Cg_endo -80.37 141.83 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.626 2.217 . . . . 0.0 112.343 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.07 -9.77 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -49.24 -25.27 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 42.0 p90 -136.45 29.77 2.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.773 0.321 . . . . 0.0 111.836 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.468 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.4 mm -107.7 132.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 111.187 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -135.85 114.68 12.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.45 146.76 52.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.06 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 178.35 18.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 68' ' ' LYS . 25.8 t -108.48 142.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.22 105.3 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.9 p90 -100.7 92.15 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.824 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.76 175.8 11.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.016 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -116.95 57.31 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.104 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -85.48 146.29 27.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.1 115.6 15.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.731 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.88 133.28 54.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.33 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.95 41.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.15 -166.87 21.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.372 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.78 70.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.26 -33.8 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.51 163.18 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 29' ' ' SER . 8.2 tt -126.94 128.69 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.66 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -65.66 143.01 57.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD21 ' CG1' ' A' ' 36' ' ' VAL . 4.7 mt -131.81 139.13 48.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.641 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -131.31 164.35 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 18.9 mt -71.51 134.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -7.41 61.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.33 143.83 26.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 111.065 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.9 m -102.63 134.99 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -124.01 141.27 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -97.96 108.36 21.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.7 mp -64.1 112.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.5 tm? -95.57 -27.56 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.639 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 1.4 mt-10 -144.32 158.71 43.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 34.1 p -132.51 169.4 16.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 46.7 t80 -178.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.303 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 51.95 94.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 28.96 66.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.902 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.855 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.34 92.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.849 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.25 147.1 44.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.463 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.1 ttm180 -113.01 123.8 51.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.352 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.12 -176.3 26.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.695 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -124.13 140.35 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -73.33 147.95 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.6 mm? -57.96 -30.83 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -80.58 -45.2 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.08 83.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -74.13 -31.56 62.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -71.78 -42.03 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -82.73 118.24 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -109.31 152.04 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.54 -168.53 21.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.583 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.855 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.2 pt -129.91 155.02 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -155.51 152.83 25.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.1 Cg_endo -79.88 146.3 18.39 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.22 -9.65 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.857 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -49.31 -24.82 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.2 p90 -138.96 34.63 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.2 mm -112.36 130.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -126.24 132.8 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 67' ' ' LEU . 2.5 mm? -82.57 117.84 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 15' ' ' VAL . 6.4 mmtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.625 ' CE2' HD11 ' A' ' 51' ' ' LEU . 1.2 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 35' ' ' THR . . . -134.77 -157.18 7.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG23 ' HG3' ' A' ' 68' ' ' LYS . 45.1 t -131.29 154.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.18 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -130.65 108.37 9.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 29.8 p90 -101.85 92.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.0 110.997 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.51 174.84 12.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.023 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.533 HD21 HD11 ' A' ' 32' ' ' ILE . 7.5 m-80 -120.43 63.8 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.371 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.88 141.7 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.133 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.7 151.26 32.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -96.71 131.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.255 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -103.07 29.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.39 176.64 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.272 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.18 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -42.81 91.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -104.27 -176.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -142.73 129.7 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.7 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 58.7 p -72.2 113.44 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HG11 ' A' ' 36' ' ' VAL . 8.8 mt -110.58 133.9 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.243 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -127.5 156.12 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.533 HD11 HD21 ' A' ' 19' ' ' ASN . 22.5 mt -66.26 131.82 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.81 -1.99 63.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.768 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.4 140.12 30.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' GLY . 21.7 m -91.94 144.79 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.094 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.835 HG11 HD21 ' A' ' 30' ' ' LEU . 15.8 m -134.55 140.37 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -106.84 108.98 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.164 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.16 128.69 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.704 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.7 pp -110.51 -33.96 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.178 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 41' ' ' THR . 4.1 mt-10 -123.58 166.56 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 40' ' ' GLU . 18.9 p -161.49 -179.18 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.196 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.1 t80 179.25 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.638 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 177.04 102.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.57 24.88 60.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.651 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.732 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -160.98 92.05 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.86 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -119.69 166.55 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 111.337 -179.05 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' ILE . 20.7 ttt180 -122.38 154.39 37.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.517 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 176.36 -164.23 33.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -153.58 134.18 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 36' ' ' VAL . 30.1 p -65.49 143.74 57.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 13' ' ' TYR . 2.1 mt -58.51 -29.47 66.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -33.44 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -126.52 67.59 1.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -65.83 -28.22 68.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -65.94 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.91 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -126.52 171.13 11.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' LEU . . . 179.83 -163.6 30.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 7.4 pt -118.53 155.07 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -149.28 151.05 33.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 71.8 Cg_endo -77.29 140.51 19.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 0.0 112.396 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.86 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.28 -9.69 54.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -49.33 -24.81 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HE1' HD13 ' A' ' 30' ' ' LEU . 26.8 p90 -136.78 25.28 3.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.932 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.5 mm -99.3 134.45 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -135.01 112.37 10.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.82 146.66 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HG3' HG23 ' A' ' 15' ' ' VAL . 9.4 mttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.799 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.23 -172.61 14.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.7 150.13 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -126.87 105.34 8.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.4 p90 -99.52 92.17 5.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.67 174.97 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -115.11 51.14 0.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.185 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -78.17 136.41 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.308 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -125.81 105.0 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.577 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -62.88 157.22 22.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -130.72 28.82 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.29 -174.8 38.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.394 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.62 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.47 -31.66 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -120.44 165.04 15.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.577 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.5 tt -132.24 131.84 42.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 92.2 p -65.32 128.48 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 36' ' ' VAL . 4.6 mt -119.14 130.98 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.48 159.34 26.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 38.4 mt -70.86 136.28 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.22 -2.64 78.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.728 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.27 147.85 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.347 . . . . 0.0 111.213 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 13' ' ' TYR . 5.5 m -97.42 153.63 17.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.322 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 30' ' ' LEU . 26.9 m -142.19 137.16 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.001 0.429 . . . . 0.0 111.771 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -99.4 108.36 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.218 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.659 HD12 HD21 ' A' ' 67' ' ' LEU . 9.9 mt -78.78 130.29 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.756 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 40' ' ' GLU . 4.1 pp -112.34 -39.94 4.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.078 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.561 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.4 mt-10 -116.39 166.65 11.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.059 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 46' ' ' TYR . 10.9 p -153.98 176.46 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 176.46 35.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 54.6 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.89 33.94 59.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.967 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.48 86.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.37 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -119.7 155.55 32.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.965 0.412 . . . . 0.0 111.37 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HG3' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -112.56 149.18 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.696 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.53 -176.72 46.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -130.45 132.51 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -60.9 157.94 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -68.01 -31.11 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -71.39 -36.46 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 99.83 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -32.08 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 p -69.1 -29.05 67.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -86.47 137.35 32.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -128.43 156.45 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.761 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -173.36 174.89 46.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 1.7 pt -117.8 155.05 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -155.48 153.87 27.28 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 Cg_exo -73.92 140.87 29.29 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.796 2.331 . . . . 0.0 111.953 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.46 -10.13 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.64 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -49.69 -26.31 3.65 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.704 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 50.6 p90 -135.72 41.55 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.298 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CE1' ' A' ' 60' ' ' PHE . 38.6 mm -123.17 134.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.086 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -137.32 113.53 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.659 HD21 HD12 ' A' ' 38' ' ' ILE . 17.4 mt -77.47 130.14 36.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.68 ' CE2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.78 0.324 . . . . 0.0 110.776 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 175.72 21.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.551 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 68' ' ' LYS . 32.5 t -98.8 146.5 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.28 106.71 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 7.3 p90 -94.11 92.08 7.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 0.0 110.511 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -161.66 159.02 26.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.122 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -107.0 58.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.083 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.58 134.69 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.412 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -121.91 109.36 14.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -65.02 128.59 36.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -77.88 -26.33 49.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.36 -159.0 9.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.84 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.308 . . . . 0.0 111.241 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -36.63 70.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -124.16 157.02 35.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 53' ' ' LYS . 7.4 tt -113.46 135.02 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.491 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -70.25 137.9 51.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 36' ' ' VAL . 9.9 mt -119.85 130.0 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.637 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -119.46 145.86 45.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 48.0 mt -61.67 125.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -2.13 58.7 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.732 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.32 143.34 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.7 m -94.74 154.25 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -142.13 138.62 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.508 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -97.91 108.54 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.36 133.69 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.732 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.6 pp -123.9 -36.75 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.658 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.805 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -122.4 151.1 41.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -139.18 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -177.33 36.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.192 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.42 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.615 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 64.31 36.45 93.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.854 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.858 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.65 91.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.472 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.67 147.08 44.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.92 0.391 . . . . 0.0 111.215 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' CA ' HG22 ' A' ' 59' ' ' ILE . 6.1 ttm-85 -107.14 144.19 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.71 37.45 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -132.43 139.06 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -67.74 149.35 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD11 ' CE2' ' A' ' 13' ' ' TYR . 4.2 mm? -59.32 -30.8 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -73.46 -67.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 28' ' ' LEU . 44.6 pttt -97.89 79.82 2.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -30.66 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 m -59.33 -31.14 68.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.09 151.92 21.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -136.12 153.9 51.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.44 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -170.13 -165.34 27.34 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.858 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.4 pt -134.1 166.05 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.3 p90 -159.93 159.0 27.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.8 140.35 31.98 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.968 2.446 . . . . 0.0 112.091 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.82 60.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.792 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.31 11.43 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.44 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' HD13 ' A' ' 65' ' ' ILE . 41.8 m-85 -143.24 33.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 60' ' ' PHE . 14.8 mm -128.28 161.38 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.927 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 65' ' ' ILE . 18.4 t60 -148.54 112.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.024 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.2 mm? -69.11 119.31 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 15' ' ' VAL . 7.8 mmtt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 37' ' ' HIS . 2.6 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 35' ' ' THR . . . -142.9 -150.31 5.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.31 143.61 40.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.05 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -113.53 114.23 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.3 p90 -106.94 92.26 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.507 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -161.59 176.79 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.962 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -117.68 54.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.96 140.38 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.499 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -128.48 102.35 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.62 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -58.48 164.8 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.396 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 28.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 178.42 42.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.17 64.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -30.33 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 163.63 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.979 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt -135.6 136.51 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 28' ' ' LEU . 22.0 p -68.05 137.43 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 36' ' ' VAL . 5.1 mt -129.21 137.39 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.67 159.7 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 8.6 mt -67.17 136.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.227 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 -3.36 79.83 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.721 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.36 139.97 30.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.498 HG22 HD23 ' A' ' 51' ' ' LEU . 12.6 m -92.15 145.47 24.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -138.51 137.49 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 26.0 t-80 -103.86 114.04 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.456 HG23 ' HB3' ' A' ' 46' ' ' TYR . 3.3 mt -81.21 131.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.616 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.409 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.9 pp -117.72 -22.39 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.997 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -133.41 150.38 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.487 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' CE1' ' A' ' 46' ' ' TYR . 13.7 t -153.67 179.24 9.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.246 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -178.22 -64.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -177.5 101.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.43 26.54 69.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.118 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.702 ' HE3' ' HA ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -159.43 100.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.8 m-85 -119.64 147.11 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.705 ' HB2' HG22 ' A' ' 59' ' ' ILE . 11.4 ttp180 -114.46 148.58 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.518 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 177.51 -155.61 18.06 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.683 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -146.65 140.93 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.506 HG23 HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.08 151.92 46.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.498 HD23 HG22 ' A' ' 35' ' ' THR . 3.6 mm? -59.5 -30.75 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -78.94 -46.54 18.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -104.42 86.71 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -77.71 -33.33 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -70.11 -30.0 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.63 148.48 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -136.09 154.56 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -172.39 -175.75 40.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.596 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.705 HG22 ' HB2' ' A' ' 47' ' ' ARG . 13.2 pt -124.02 155.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -151.55 149.43 24.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 73.2 Cg_endo -76.14 138.17 20.07 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -66.57 -9.72 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.914 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.42 -24.61 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 14.6 p90 -135.75 19.4 3.29 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 60' ' ' PHE . 46.5 mm -94.5 144.88 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.228 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -139.69 112.45 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.67 133.91 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.771 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.816 0.341 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 35' ' ' THR . . . -135.51 -156.22 7.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -125.69 146.44 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.736 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -120.23 106.77 12.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.3 p90 -101.62 92.19 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.35 175.89 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.032 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.95 60.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -101.31 144.88 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.04 154.34 36.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.67 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -97.16 167.16 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -133.58 29.81 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.65 -171.11 26.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.366 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.0 68.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.13 -31.82 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.19 170.65 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.639 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -139.79 134.22 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.67 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 14.8 p -73.75 139.73 45.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.174 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 16' ' ' ALA . 2.2 mt -129.76 137.44 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -130.23 163.8 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 13.3 mt -69.75 134.43 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.85 -5.85 64.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.815 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.28 149.24 21.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 14' ' ' GLY . 7.6 m -102.88 146.6 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 50' ' ' THR . 4.9 m -135.04 140.48 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.577 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -103.15 111.88 24.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.508 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.13 121.62 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.41 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -110.83 -24.61 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.794 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.94 151.14 51.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -148.61 -179.7 7.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -177.69 -65.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 179.87 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.05 28.29 60.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.002 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.78 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -164.36 99.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.6 m-85 -119.74 160.9 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.48 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' CA ' HG22 ' A' ' 59' ' ' ILE . 20.2 ttt180 -122.08 130.16 53.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.57 -163.54 13.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.618 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -142.75 125.8 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.673 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.9 147.47 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.59 -30.57 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -75.62 -33.26 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -118.38 81.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -71.78 -31.36 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.99 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -77.34 -40.87 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 136.07 36.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -123.15 150.95 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -165.15 -171.79 31.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.69 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.78 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.6 pt -128.85 155.04 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -149.93 154.52 37.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.6 Cg_endo -77.78 138.9 17.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.461 2.107 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -67.81 -9.72 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.913 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -49.37 -24.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.691 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 40.2 p90 -137.35 24.18 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.6 mm -99.9 132.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.166 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -131.18 121.12 24.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.9 mm? -74.2 135.61 42.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.826 0.346 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' THR . . . -127.36 -156.15 9.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.79 149.53 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -123.97 110.96 15.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 16.0 p90 -105.57 92.19 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.442 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.69 178.26 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.015 179.462 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -117.13 54.36 0.87 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.192 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.44 127.2 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.56 86.16 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.67 163.72 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -139.17 30.03 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.31 171.83 39.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.411 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.62 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.1 -32.27 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -104.1 -178.41 3.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.799 HD12 ' CA ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.25 130.43 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -78.39 114.01 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.694 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.7 mt -119.04 142.87 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.61 162.16 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.0 mt -68.64 133.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.28 -5.85 61.16 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.724 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -95.29 147.04 23.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' HD23 ' A' ' 51' ' ' LEU . 26.3 m -98.08 141.86 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.548 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 30' ' ' LEU . 28.6 m -128.19 143.45 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -102.59 108.31 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.319 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 HD11 ' A' ' 67' ' ' LEU . 5.3 mt -66.86 114.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.144 0.497 . . . . 0.0 111.296 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.905 HD23 ' HG2' ' A' ' 40' ' ' GLU . 6.0 tt -95.13 -48.34 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.548 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.905 ' HG2' HD23 ' A' ' 39' ' ' LEU . 4.7 mm-40 -132.45 155.43 48.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.95 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -151.41 171.67 17.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -169.82 -66.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.703 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.97 100.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.64 80.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.224 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.857 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.0 88.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 110.337 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -119.56 147.0 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.096 -179.418 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HD2' HD22 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.71 141.05 36.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.14 -165.2 20.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.588 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -149.03 127.49 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -64.64 165.47 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.588 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -74.1 -32.0 63.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -68.54 -50.84 48.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -120.22 75.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE3' HD13 ' A' ' 51' ' ' LEU . 18.0 mttt -67.23 -30.12 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.3 113.44 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -95.45 150.15 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD12 ' A' ' 28' ' ' LEU . . . -160.69 -175.57 31.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.857 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -123.68 155.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.261 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.0 p90 -149.03 151.24 34.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.018 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 7.6 Cg_exo -72.39 143.01 38.09 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.842 2.361 . . . . 0.0 112.419 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.66 -10.07 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.884 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.9 p -52.36 -22.67 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 51.6 p90 -139.35 41.74 2.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 62' ' ' ALA . 23.8 mm -118.37 130.81 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.968 0.414 . . . . 0.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -140.64 114.56 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.526 HD11 HD13 ' A' ' 38' ' ' ILE . 9.5 mp -61.85 144.62 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.59 -156.6 6.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 68' ' ' LYS . 51.9 t -123.65 154.71 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.575 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -129.02 117.59 21.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.9 p90 -107.97 92.67 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.984 0.421 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -160.94 173.32 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -120.08 61.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.395 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -98.14 134.5 41.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.037 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.16 115.7 24.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -72.45 159.24 34.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.317 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -106.86 -28.34 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.4 -161.77 10.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.432 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.03 -27.87 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.5 -35.25 69.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.016 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -176.57 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -141.93 134.29 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.39 110.16 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -102.39 136.54 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -131.58 154.55 48.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.2 mt -66.57 133.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.64 -2.88 67.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.631 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.3 143.19 26.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 50' ' ' THR . 42.7 m -93.59 136.16 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.406 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' THR . 13.4 m -121.81 137.2 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.626 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -101.39 108.14 19.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.91 138.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.436 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -123.37 -45.54 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.444 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 46' ' ' TYR . 3.0 mt-10 -133.33 156.71 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.288 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 46' ' ' TYR . 71.0 p -138.73 175.62 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.383 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -179.09 37.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.12 100.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.28 88.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.042 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.903 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.82 91.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.633 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.875 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.64 147.06 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 111.528 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -109.02 138.26 45.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.477 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.85 179.92 44.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.635 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -123.36 146.87 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -77.99 159.32 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.11 -36.25 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -59.98 -32.46 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 91.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -67.78 -28.91 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -30.96 66.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.626 ' HG2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.43 130.79 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 134.38 48.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.847 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -158.47 -172.18 25.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.57 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.903 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.9 pt -118.7 154.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.001 0.429 . . . . 0.0 111.312 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.7 p90 -154.74 147.99 18.33 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 Cg_endo -77.93 141.97 19.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.42 2.08 . . . . 0.0 112.395 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.68 -9.82 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.917 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.3 p -49.58 -24.68 2.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 22.9 p90 -132.94 18.71 4.14 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.433 HG13 ' CE1' ' A' ' 60' ' ' PHE . 50.6 mm -94.57 145.09 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 0.0 111.239 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -146.88 114.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.8 mm? -57.67 141.65 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.73 -175.85 14.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.619 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.737 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.5 t -103.27 150.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -125.06 112.98 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 10.0 p90 -103.29 92.21 4.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.611 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 24.1 t80 -161.56 163.62 30.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.05 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -111.45 57.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.39 132.95 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.284 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -122.06 95.68 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.627 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -60.97 144.46 53.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.238 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.82 27.95 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.761 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.96 -179.48 46.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.26 64.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.325 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.41 -40.31 86.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.04 165.61 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -131.7 135.03 46.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 28' ' ' LEU . 23.5 m -65.74 129.56 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -117.21 135.92 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.611 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -130.52 148.0 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 6.7 mt -62.31 140.61 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.91 -7.56 81.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.834 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.72 136.97 32.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 m -92.06 131.54 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.49 HG12 ' CG2' ' A' ' 50' ' ' THR . 8.1 m -115.44 138.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.539 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -97.97 108.34 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.66 122.47 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.608 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.69 HD11 ' HD3' ' A' ' 47' ' ' ARG . 4.0 pp -114.82 -25.8 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -131.4 149.78 52.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.617 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -155.28 179.7 8.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.104 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -177.83 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 179.02 102.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.6 30.46 74.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.976 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.717 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -165.83 99.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 3.5 m-85 -119.63 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.947 0.403 . . . . 0.0 111.416 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.69 ' HD3' HD11 ' A' ' 39' ' ' LEU . 6.3 ttt85 -117.43 144.13 45.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.262 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.72 -157.23 16.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.686 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.46 141.79 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.49 ' CG2' HG12 ' A' ' 36' ' ' VAL . 16.2 p -76.0 157.46 33.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.46 -30.56 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.93 -65.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 101.09 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -75.57 -33.08 60.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -30.6 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 119.51 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -119.37 153.61 34.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.45 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -174.75 -177.82 44.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.594 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.717 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 13.4 pt -114.61 155.11 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 p90 -147.95 156.11 44.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.244 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.432 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.6 Cg_exo -63.81 142.4 82.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.645 2.23 . . . . 0.0 111.832 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.43 -41.74 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.697 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -57.13 -23.42 47.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.479 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 35.9 m-85 -104.24 38.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.047 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.7 mm -139.41 158.08 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 65' ' ' ILE . 7.6 t60 -148.64 112.5 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -63.13 131.73 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.737 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.4 p -131.4 169.78 15.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.81 123.59 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.496 ' CD1' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -83.1 162.72 21.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.529 ' HB ' HG23 ' A' ' 41' ' ' THR . 5.8 t -79.85 141.57 55.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 6.4 Cg_endo -86.03 18.63 1.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.917 2.411 . . . . 0.0 112.782 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.569 ' HB ' HG22 ' A' ' 41' ' ' THR . 1.8 t 42.75 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -107.49 165.86 11.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 59.88 34.86 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HG3' HD13 ' A' ' 67' ' ' LEU . 1.1 tp10 -108.14 162.64 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.4 -66.77 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -172.05 -72.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -140.15 178.47 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -148.69 -151.32 5.43 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.03 148.19 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 0.0 111.216 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.36 113.31 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.802 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 22.2 p90 -107.0 92.24 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.016 0.436 . . . . 0.0 110.944 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.65 177.65 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -117.25 53.05 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.04 134.43 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.428 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -127.86 89.73 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.87 137.34 56.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.332 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -116.98 29.41 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.57 169.45 38.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.29 65.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.221 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -67.89 -36.64 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.29 -178.19 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.62 132.34 15.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -72.63 120.43 18.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 HG11 ' A' ' 36' ' ' VAL . 7.0 mt -120.84 137.45 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.055 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -129.77 158.18 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 11.5 mt -67.66 135.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.45 -4.78 64.52 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.724 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.31 150.21 20.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.915 0.388 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 14' ' ' GLY . 46.3 m -104.41 139.84 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.346 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.816 HG11 HD21 ' A' ' 30' ' ' LEU . 29.4 m -129.53 138.0 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.657 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -100.28 108.43 20.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.853 HD12 HD21 ' A' ' 67' ' ' LEU . 3.7 mt -76.69 128.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.601 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.746 HD12 ' HG2' ' A' ' 40' ' ' GLU . 3.8 pp -112.44 -29.96 7.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.593 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.746 ' HG2' HD12 ' A' ' 39' ' ' LEU . 14.6 mm-40 -129.95 165.33 22.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.491 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.569 HG22 ' HB ' ' A' ' 7' ' ' THR . 10.2 t -157.15 166.79 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.496 ' CD1' ' CD1' ' A' ' 4' ' ' TRP . 23.3 t80 -174.92 34.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.33 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 65.61 102.21 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.018 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 37.4 94.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.223 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.865 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.45 92.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.9 m-85 -119.33 159.33 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.056 0.455 . . . . 0.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 59' ' ' ILE . 9.8 ttt180 -123.14 150.79 42.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.592 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.691 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 175.78 -152.86 13.68 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.629 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -154.66 145.26 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -69.83 148.37 49.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 HG22 ' A' ' 35' ' ' THR . 4.4 mm? -57.6 -29.39 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -83.45 -31.48 26.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -116.93 78.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -77.08 -30.33 55.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -68.16 -30.9 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 146.16 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.91 143.95 41.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.708 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -166.99 -179.88 40.32 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.552 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.865 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 8.0 pt -111.87 161.58 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.368 . . . . 0.0 111.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.9 p90 -157.4 149.87 17.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 12.2 Cg_exo -70.15 135.28 29.14 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.683 2.255 . . . . 0.0 112.205 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.728 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.5 -10.13 58.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.654 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -51.01 -24.7 3.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.881 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' HE1' HD13 ' A' ' 30' ' ' LEU . 49.3 p90 -132.19 28.01 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.4 mm -107.97 134.94 48.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.021 0.439 . . . . 0.0 111.26 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -135.83 112.33 9.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.692 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.853 HD21 HD12 ' A' ' 38' ' ' ILE . 18.7 mt -72.43 139.13 47.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -114.47 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.65 45.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.2 157.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.12 170.22 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.4 m -134.9 131.96 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -77.48 134.06 38.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.313 -1.271 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.13 99.95 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -64.15 154.39 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -77.12 -169.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.42 HG23 ' HD1' ' A' ' 42' ' ' TYR . 12.0 t -130.96 141.39 41.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 37.2 Cg_exo -59.89 179.78 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.551 2.167 . . . . 0.0 111.945 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 41' ' ' THR . 11.1 p -121.99 120.2 33.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.058 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -125.21 172.76 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.792 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.23 30.06 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -114.1 -8.21 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.69 -66.81 0.25 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -149.75 -69.79 0.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -151.84 179.88 8.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.633 ' O ' HG23 ' A' ' 35' ' ' THR . . . -137.9 -165.4 10.34 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.566 HG23 ' HG3' ' A' ' 68' ' ' LYS . 47.5 t -120.52 148.64 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 111.054 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -126.52 116.96 21.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.3 p90 -109.28 92.4 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.55 173.39 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.966 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -113.96 49.88 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.152 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -77.11 139.5 40.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.329 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -135.04 103.84 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 137.12 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.335 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -92.46 -22.27 19.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.37 177.02 18.55 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.96 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.215 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.55 -34.64 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -173.33 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 53' ' ' LYS . 4.5 tt -151.08 126.47 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -64.75 128.05 34.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -110.56 134.73 52.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.725 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.86 156.47 42.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.7 mt -69.26 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.77 -4.66 86.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -95.31 144.8 25.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 14' ' ' GLY . 88.8 m -99.8 130.17 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 30' ' ' LEU . 5.1 m -114.73 138.99 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.454 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -97.91 108.35 21.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.744 HG22 HG21 ' A' ' 7' ' ' THR . 3.0 mm -61.92 106.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -94.02 -31.04 14.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -145.7 142.32 28.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.015 HG22 HG22 ' A' ' 7' ' ' THR . 6.0 t -144.55 -178.95 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 111.193 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.42 ' HD1' HG23 ' A' ' 5' ' ' VAL . 69.8 t80 -178.29 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.786 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -177.97 101.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 34.15 87.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.101 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.984 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.25 93.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.824 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 m-85 -119.68 146.99 45.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.013 0.435 . . . . 0.0 111.202 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.65 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.7 ttt180 -117.75 121.26 40.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 -163.43 9.71 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 49' ' ' TYR . 24.1 p90 -138.83 131.49 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.18 157.26 31.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.2 mm? -66.45 -30.64 71.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.7 mmt-85 -67.95 -52.75 32.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -118.46 80.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.991 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 51' ' ' LEU . 46.2 mttt -68.37 -31.48 70.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -31.47 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -91.88 153.64 19.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.42 149.46 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -159.0 175.41 35.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.984 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 9.1 pt -109.65 155.08 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.9 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CE1' HG13 ' A' ' 65' ' ' ILE . 8.3 p90 -157.72 144.12 12.96 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 7.8 Cg_exo -72.36 142.19 36.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.471 2.114 . . . . 0.0 111.95 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.824 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.55 -9.92 55.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.7 t -49.65 -25.06 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 46.7 p90 -134.33 26.19 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 60' ' ' PHE . 35.9 mm -105.68 136.25 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.106 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -141.62 112.38 7.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.748 HD13 ' HA ' ' A' ' 10' ' ' GLU . 59.8 mt -68.04 139.62 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 15' ' ' VAL . 10.7 mmtm -127.27 169.02 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.25 41.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 63.22 142.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.4 mp -124.86 142.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.0 p -177.06 130.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.79 130.95 45.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.545 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.752 0.31 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 2' ' ' THR . 9.4 t -77.76 103.76 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -128.21 107.65 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -70.42 137.78 50.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 20.4 t -77.73 139.1 62.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 94.3 Cg_endo -85.82 25.75 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.689 2.259 . . . . 0.0 112.887 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.489 ' HB ' HG22 ' A' ' 41' ' ' THR . 2.9 t 42.82 59.52 2.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.431 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -67.31 158.55 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.11 30.49 19.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -149.31 78.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -98.81 32.93 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -118.38 162.9 17.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.34 163.45 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.42 -157.14 8.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.388 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -127.19 149.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.98 108.48 12.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.3 p90 -102.41 92.3 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.42 174.79 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.529 HD21 HD11 ' A' ' 32' ' ' ILE . 15.2 m-80 -120.13 57.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.245 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -96.36 145.58 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.178 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -134.26 115.59 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.53 153.95 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.97 30.55 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.31 176.3 41.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.9 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -30.51 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -113.64 171.56 7.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 53' ' ' LYS . 4.2 tp -138.84 137.11 36.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -73.85 146.52 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.1 mt -136.57 137.32 40.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -126.46 163.4 23.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.529 HD11 HD21 ' A' ' 19' ' ' ASN . 30.9 mt -72.74 136.42 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.178 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.8 -4.59 72.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.769 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.22 145.29 25.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 111.157 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -92.01 151.07 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.759 ' CG1' HD21 ' A' ' 30' ' ' LEU . 17.7 m -139.37 137.36 40.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.769 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -108.23 108.43 19.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.174 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD21 ' A' ' 67' ' ' LEU . 4.2 mt -78.94 131.16 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 pp -108.75 -20.87 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -138.68 151.3 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.489 HG22 ' HB ' ' A' ' 7' ' ' THR . 15.3 t -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.887 0.375 . . . . 0.0 111.213 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -177.76 -68.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 179.25 102.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.71 29.92 65.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.008 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.778 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -166.99 93.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.812 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.68 157.85 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CA ' HG22 ' A' ' 59' ' ' ILE . 21.7 ttm180 -116.59 133.57 55.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.654 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.65 -161.25 18.37 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 2.8 p90 -152.63 149.66 28.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.654 HG22 HG12 ' A' ' 36' ' ' VAL . 37.6 p -81.55 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 54' ' ' LYS . 2.3 mt -59.24 -28.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.29 94.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -137.7 82.24 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 51' ' ' LEU . 32.6 mttt -73.93 -21.88 59.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.242 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -54.43 -39.64 67.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -96.98 149.82 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.38 152.92 49.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.835 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -167.31 -172.85 34.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.778 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -125.2 156.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 30' ' ' LEU . 4.3 p90 -151.87 152.45 30.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.182 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 10.1 Cg_exo -70.98 140.7 38.65 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.692 2.261 . . . . 0.0 112.027 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.06 58.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.65 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -25.22 4.11 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 51.5 p90 -136.2 43.79 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.299 . . . . 0.0 111.679 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.427 HG13 ' CE1' ' A' ' 60' ' ' PHE . 22.8 mm -123.49 124.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.206 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.94 119.75 24.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -79.23 132.6 36.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -99.84 168.58 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.7 92.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' HB3' ' CB ' ' A' ' 12' ' ' LYS . . . -80.91 115.76 20.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 73' ' ' GLU . 2.3 mp -68.9 141.93 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.24 31.0 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -109.13 153.88 23.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.283 -1.287 . . . . 0.0 112.577 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.717 0.294 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.1 p -106.47 33.78 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.768 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' CD1' ' CD1' ' A' ' 42' ' ' TYR . 9.1 t90 -95.32 20.71 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.238 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.912 HG22 ' CG ' ' A' ' 40' ' ' GLU . 2.9 t -129.61 88.65 49.16 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.857 0.36 . . . . 0.0 111.549 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 64.7 Cg_endo -88.74 -27.74 0.4 Allowed 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.192 2.595 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 7' ' ' THR . 5.3 t -51.54 112.26 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.163 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.3 120.92 26.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.771 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 63.86 72.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -92.38 169.51 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -68.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.91 -66.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.48 178.81 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -154.45 141.8 8.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.232 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.3 t -96.42 146.75 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -127.13 123.3 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -112.06 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 110.652 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -161.74 174.09 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.857 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -117.65 55.68 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.995 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -86.5 147.85 25.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.397 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.82 148.56 49.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -98.23 149.7 22.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 0.0 111.464 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.37 -20.12 13.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.66 -167.06 16.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.617 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.3 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.252 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -31.08 71.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.994 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.09 174.84 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 2.9 tt -146.99 133.51 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.526 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 15.1 t -63.8 122.23 15.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -105.1 137.78 42.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -132.93 156.66 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 7.0 mt -67.68 140.78 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -1.33 87.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.699 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.26 139.25 31.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 111.368 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' THR . 6.8 m -93.27 151.01 20.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.075 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 50' ' ' THR . 28.8 m -140.39 141.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.98 0.419 . . . . 0.0 111.842 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -99.68 107.97 20.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.692 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.609 HD12 HD21 ' A' ' 67' ' ' LEU . 23.2 mt -71.9 108.93 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.611 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.601 ' C ' HD13 ' A' ' 39' ' ' LEU . 2.0 tm? -92.94 -42.07 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.336 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.912 ' CG ' HG22 ' A' ' 5' ' ' VAL . 1.3 mt-10 -123.92 166.47 15.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.529 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 46' ' ' TYR . 16.1 m -147.99 167.09 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.679 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 4' ' ' TRP . 3.7 t80 -176.33 37.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 111.398 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 100.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.627 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.45 26.6 64.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.766 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 1.011 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -163.23 93.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.835 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.38 151.55 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.308 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -116.32 100.7 8.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.678 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.83 168.76 22.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.589 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -110.38 138.42 46.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -68.39 148.7 50.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 54' ' ' LYS . 4.1 mm? -62.8 -37.67 87.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -30.14 63.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.542 ' NZ ' HD11 ' A' ' 28' ' ' LEU . 3.5 mtpm? -121.16 74.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 51' ' ' LEU . 26.5 mttp -80.85 -0.96 41.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 p -83.26 -31.04 27.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.269 . . . . 0.0 111.131 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -121.63 154.29 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.215 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.07 155.36 28.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -151.77 -177.64 25.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.806 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.011 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 4.0 pt -126.47 154.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.662 0.268 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -159.95 152.94 18.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.088 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.0 Cg_endo -80.74 143.5 14.88 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.618 2.212 . . . . 0.0 112.249 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.835 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -68.82 -9.73 52.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.852 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -49.46 -25.07 2.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 36.8 p90 -134.31 25.47 3.82 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.435 HG13 ' CE1' ' A' ' 60' ' ' PHE . 43.8 mm -104.29 146.78 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.271 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.55 112.33 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD21 HD12 ' A' ' 38' ' ' ILE . 68.4 mt -68.28 140.03 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -86.69 -174.94 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.57 47.27 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.771 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 63.29 52.44 2.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mm 63.81 138.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 72' ' ' VAL . 28.4 m -100.89 110.89 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 139.52 24.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.53 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.956 0.408 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.54 151.47 50.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -123.19 -43.55 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -86.89 -178.6 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 3.8 m -132.88 143.88 50.51 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.383 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' HG22 ' A' ' 41' ' ' THR . 16.2 Cg_exo -67.66 -163.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.68 2.253 . . . . 0.0 112.143 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.735 HG21 HG22 ' A' ' 38' ' ' ILE . 47.1 p -141.09 81.23 1.78 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -88.91 83.0 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -167.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 63.7 152.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.634 ' NZ ' ' HB1' ' A' ' 70' ' ' ALA . 31.9 mttt -150.56 -70.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.731 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -142.25 179.96 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.91 168.98 24.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.84 144.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.769 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -122.91 103.78 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.22 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -93.35 92.34 7.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.427 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.496 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 16.7 t80 -161.38 166.01 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.863 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -113.82 52.14 0.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.455 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' HB3' ' CB ' ' A' ' 30' ' ' LEU . 3.2 t80 -78.28 142.48 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.093 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -138.99 86.64 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 150.11 23.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -107.74 -20.9 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.97 -176.82 14.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.43 -26.82 64.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.12 -30.58 62.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -121.99 174.05 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 29' ' ' SER . 6.7 tt -137.56 136.02 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.53 129.45 41.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD21 ' HB1' ' A' ' 16' ' ' ALA . 12.4 tp -116.43 126.38 53.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -117.69 153.26 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.67 133.58 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.87 -1.51 80.87 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.848 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.26 144.04 26.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.6 m -91.99 157.45 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 50' ' ' THR . 10.2 m -146.35 137.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.411 . . . . 0.0 111.655 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -98.02 109.66 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.364 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.735 HG22 HG21 ' A' ' 7' ' ' THR . 2.0 mt -79.75 134.58 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.65 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 40' ' ' GLU . 2.2 pp -121.18 -32.04 3.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.805 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.737 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.8 mm-40 -127.02 143.68 51.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.72 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 7' ' ' THR . 1.8 t -132.51 172.51 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.064 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 44.2 t80 -177.19 37.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.976 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 62.23 99.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.744 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.94 39.6 97.21 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.151 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.887 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.96 91.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.839 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -119.73 154.68 33.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' HB2' HG22 ' A' ' 59' ' ' ILE . 27.7 ttt180 -118.6 146.89 44.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.226 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.93 -160.67 24.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.743 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' N ' ' CD1' ' A' ' 49' ' ' TYR . 2.1 p90 -136.45 139.59 42.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.991 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -69.87 154.68 41.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD21 ' CD2' ' A' ' 13' ' ' TYR . 3.6 mm? -63.99 -29.35 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -83.43 -48.85 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -102.58 81.89 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -68.99 -30.15 68.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -70.08 -54.28 13.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -67.69 138.38 56.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -137.94 145.13 41.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -163.4 -176.66 35.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.667 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.887 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.5 pt -109.77 155.16 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 65' ' ' ILE . 7.1 p90 -152.24 152.76 30.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 65' ' ' ILE . 60.6 Cg_endo -71.96 143.15 40.15 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.05 -26.82 64.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.515 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 m -61.04 -22.46 64.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.295 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 43.2 m-85 -114.81 41.23 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.211 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.1 mm -138.23 159.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.947 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 65' ' ' ILE . 6.9 t60 -144.85 125.38 14.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 67' ' ' LEU . 1.4 mm? -76.68 123.77 26.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -87.18 172.42 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.75 25.89 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB1' ' NZ ' ' A' ' 12' ' ' LYS . . . 59.35 109.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.69 103.31 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 m -88.67 58.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.69 39.24 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -100.49 160.08 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -167.13 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.468 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 64.14 122.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.753 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -54.45 155.12 7.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.564 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.18 45.69 1.48 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.882 2.388 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.733 ' HA ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER 43.09 95.51 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.084 0.469 . . . . 0.0 111.674 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.45 172.38 9.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.74 29.75 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -130.07 -178.1 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.87 -79.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.58 -77.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 70' ' ' ALA . 2.6 p90 -137.12 170.68 15.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.994 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.62 -162.29 9.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.506 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG21 ' HE3' ' A' ' 68' ' ' LYS . 27.3 t -117.09 143.4 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.55 114.27 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.7 p90 -108.15 92.42 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.766 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.36 173.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.897 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -120.83 61.05 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.205 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -98.25 141.03 31.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.241 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -127.35 112.91 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.74 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.47 151.96 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.04 -22.86 12.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.77 -171.97 15.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.28 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.87 -31.42 68.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -108.5 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 29' ' ' SER . 7.6 tt -143.97 134.13 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.751 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 28' ' ' LEU . 2.5 t -65.89 139.08 58.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.756 HD21 HG11 ' A' ' 36' ' ' VAL . 4.3 mt -131.47 135.63 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -131.3 162.16 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 10.6 mt -69.57 138.22 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.17 71.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.77 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.26 149.39 21.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 111.028 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 14' ' ' GLY . 17.1 m -102.3 145.4 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.756 HG11 HD21 ' A' ' 30' ' ' LEU . 18.3 m -134.9 137.06 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.582 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.436 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 38.1 t60 -99.02 108.18 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.3 mp -64.76 106.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.379 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 39' ' ' LEU . 8.5 tt -86.65 -28.32 23.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -150.1 151.0 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.526 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 7' ' ' THR . 10.5 t -130.83 172.67 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.442 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 56.5 t80 -176.88 33.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.4 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.023 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.11 33.88 69.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.325 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -180.0 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.852 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.4 m-85 -119.55 147.19 44.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.945 0.402 . . . . 0.0 111.457 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.498 ' HB2' HG22 ' A' ' 59' ' ' ILE . 10.0 ttt180 -112.91 126.76 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.325 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 37' ' ' HIS . . . -153.34 -165.34 13.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.818 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 26.5 p90 -135.29 127.09 29.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.842 0.353 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.688 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -61.45 145.11 52.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.36 -29.93 64.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -80.5 -39.26 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 75.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -76.07 -11.71 59.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.375 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -89.51 -30.18 18.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 152.65 19.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' HE2' HD13 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -130.27 158.53 39.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.716 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -169.77 -172.78 36.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.691 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -123.83 154.99 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.985 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.465 ' HB3' HD12 ' A' ' 30' ' ' LEU . 5.8 p90 -155.01 148.58 18.63 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.806 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 76.9 Cg_endo -78.15 142.91 19.68 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.57 2.18 . . . . 0.0 112.345 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.852 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.25 -9.7 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.94 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.3 m -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' HE1' HD13 ' A' ' 30' ' ' LEU . 36.0 p90 -135.86 27.54 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.6 mm -105.8 135.9 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.361 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -135.81 120.82 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.96 129.77 39.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.606 ' HE3' HG21 ' A' ' 15' ' ' VAL . 40.8 mttt -95.66 -176.4 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.97 26.98 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . . . 63.04 138.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.245 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 pt -131.86 85.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG23 ' HG3' ' A' ' 73' ' ' GLU . 30.4 m -121.13 -178.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 72' ' ' VAL . 3.1 mt-10 66.13 95.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.532 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.74 0.305 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t -140.74 143.62 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -71.02 110.03 5.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -139.02 -172.44 3.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.51 HG23 ' CD2' ' A' ' 42' ' ' TYR . 15.2 t -110.4 139.99 22.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 88.2 Cg_endo -83.72 32.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.652 2.234 . . . . 0.0 112.966 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.6 ' HA ' HG22 ' A' ' 41' ' ' THR . 1.3 t 42.79 97.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.97 0.414 . . . . 0.0 111.981 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -103.52 150.37 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.37 86.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -159.7 175.76 12.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.2 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -167.15 -69.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -144.3 179.84 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' THR . . . -152.21 -154.05 6.5 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.602 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 68' ' ' LYS . 40.2 t -122.75 154.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 15' ' ' VAL . . . -129.64 105.51 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.62 92.33 6.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.651 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 19.4 t80 -161.41 164.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.414 ' ND2' HD11 ' A' ' 32' ' ' ILE . 37.9 m-80 -112.17 55.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -81.95 146.65 29.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.238 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -132.6 98.08 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.516 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -55.38 121.77 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.404 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 27.57 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.71 169.07 26.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.18 -27.27 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -59.15 -30.36 68.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.84 170.1 10.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.8 tt -130.39 133.64 46.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.612 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 67.7 m -67.19 143.04 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD21 HG11 ' A' ' 36' ' ' VAL . 8.4 mt -130.87 136.98 49.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -124.84 154.47 40.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.414 HD11 ' ND2' ' A' ' 19' ' ' ASN . 48.2 mt -70.53 127.3 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.1 -9.64 59.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.39 146.16 27.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -91.9 149.24 21.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG11 HD21 ' A' ' 30' ' ' LEU . 3.1 m -139.91 137.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.549 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -100.3 113.97 27.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.225 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' HZ ' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -78.62 120.8 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.333 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.5 pp -110.39 -18.8 13.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -144.38 157.04 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 7' ' ' THR . 14.1 t -157.71 -179.76 8.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CD2' HG23 ' A' ' 5' ' ' VAL . 1.6 t80 -179.4 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.72 102.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.561 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 60.82 31.74 76.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.987 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.808 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -170.74 96.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.7 m-85 -119.53 166.93 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 111.169 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.567 ' CD ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -129.5 146.27 51.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.456 179.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.645 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . -175.62 -164.3 29.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.747 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -140.12 132.59 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.495 HG23 HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -69.32 143.29 53.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.97 -30.77 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -42.35 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 87.36 2.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.11 -30.53 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.02 -39.75 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 134.22 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -137.9 137.78 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -161.48 -159.63 10.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.686 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.808 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.7 pt -126.53 167.52 21.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HZ ' HD12 ' A' ' 38' ' ' ILE . 3.1 p90 -159.85 160.38 27.27 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.31 138.5 36.2 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.838 2.359 . . . . 0.0 112.198 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.69 -10.27 59.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.805 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -87.71 11.23 15.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.268 . . . . 0.0 111.443 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' O ' HD13 ' A' ' 65' ' ' ILE . 55.0 m-85 -144.13 34.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 64' ' ' TYR . 11.3 mm -134.15 148.13 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.84 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -148.55 112.4 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 51.2 mt -61.04 144.64 53.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.718 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.28 168.28 9.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.83 85.04 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.33 -163.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.15 156.27 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.163 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 m -120.45 33.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -119.92 75.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.445 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.748 0.309 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 t 43.22 90.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.476 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.28 -52.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -140.01 -174.53 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.477 HG23 ' HD1' ' A' ' 42' ' ' TYR . 19.1 t -128.46 134.84 26.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -87.79 24.75 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.737 2.291 . . . . 0.0 112.83 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 ' HB ' HG22 ' A' ' 41' ' ' THR . 3.1 t 42.69 56.04 4.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.009 0.433 . . . . 0.0 111.48 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -63.11 170.6 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.29 31.56 21.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.67 148.74 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.81 39.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 4.8 mttm -136.43 -176.45 4.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' NE2' ' A' ' 37' ' ' HIS . 2.0 m-85 -114.13 179.94 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 35' ' ' THR . . . -147.89 171.78 28.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 68' ' ' LYS . 39.4 t -123.52 137.03 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.083 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' ' HE1' ' A' ' 64' ' ' TYR . . . -113.82 119.98 39.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.819 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 18.1 p90 -111.44 92.26 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 111.032 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.35 173.19 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -116.31 53.58 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.4 143.07 27.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.266 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -128.12 118.26 23.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.767 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -66.5 140.77 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -98.91 -20.18 16.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.005 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.18 -170.89 17.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.412 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.19 64.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -32.05 69.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.72 174.16 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 53' ' ' LYS . 1.9 tt -140.27 129.85 24.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.483 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 3.1 m -60.91 126.09 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -109.71 130.3 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -125.45 153.89 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 27.3 mt -68.65 137.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.08 -2.9 76.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.72 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.24 134.88 37.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.781 0.324 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 29.3 m -91.93 142.37 27.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.75 HG12 HG23 ' A' ' 50' ' ' THR . 28.6 m -133.71 144.79 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.705 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 36.7 m170 -98.06 108.31 20.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.05 114.55 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.321 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD23 ' C ' ' A' ' 39' ' ' LEU . 8.5 tt -95.34 -38.57 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.653 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.3 mt-10 -138.18 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.503 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.48 HG22 ' HB ' ' A' ' 7' ' ' THR . 11.5 t -133.91 -175.21 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.023 0.439 . . . . 0.0 111.342 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' HD1' HG23 ' A' ' 5' ' ' VAL . 3.2 t80 -176.62 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.53 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -166.27 -65.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.452 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.58 32.12 3.26 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.764 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.801 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -161.13 103.52 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.856 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 4.1 m-30 -119.4 153.39 35.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.424 . . . . 0.0 111.419 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.667 ' CA ' HG22 ' A' ' 59' ' ' ILE . 3.4 ttt180 -118.77 129.96 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.479 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.02 -165.83 16.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.64 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -139.69 129.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.338 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.75 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -64.66 162.77 15.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.778 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 37' ' ' HIS . 4.0 mm? -75.7 -36.54 60.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 9.9 mtp-105 -64.34 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 28' ' ' LEU . 31.7 pttt -137.15 91.42 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -74.74 -31.47 61.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -58.57 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -71.69 128.52 36.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.95 161.74 14.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -167.55 -173.09 35.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.586 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.801 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.3 pt -132.74 155.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.681 ' CE2' HG21 ' A' ' 36' ' ' VAL . 6.6 p90 -151.17 144.15 16.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 13.1 Cg_exo -69.54 145.9 59.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.627 2.218 . . . . 0.0 112.037 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.55 -10.02 58.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.69 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.2 p -52.39 -23.44 5.99 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 50.5 p90 -139.34 40.02 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.511 HD11 ' CD1' ' A' ' 60' ' ' PHE . 33.2 mm -113.06 130.39 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -133.47 112.74 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.695 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 67' ' ' LEU . 9.0 mp -58.83 138.94 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG2' HG23 ' A' ' 15' ' ' VAL . 2.4 mmtt -79.12 -176.22 5.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.792 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -85.14 5.19 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.516 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HB2' ' HG2' ' A' ' 12' ' ' LYS . . . 61.93 80.58 0.22 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.833 0.349 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.78 123.37 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.9 p -92.0 121.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.87 84.65 3.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.521 179.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p -156.63 143.71 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.4 mtt85 -58.68 98.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -92.53 172.8 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.515 HG13 ' HD2' ' A' ' 6' ' ' PRO . 43.5 t -124.56 140.91 36.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.515 ' HD2' HG13 ' A' ' 5' ' ' VAL . 96.2 Cg_endo -79.69 23.21 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.491 2.127 . . . . 0.0 113.026 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 41' ' ' THR . 3.7 t 43.02 71.6 0.22 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.831 0.348 . . . . 0.0 111.674 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 82.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.735 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -82.87 -46.42 13.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.987 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 45.16 41.0 5.38 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.92 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 26.2 mttm -144.98 151.54 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.14 179.82 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.656 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.49 179.15 37.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.577 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.6 t -94.72 154.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.813 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -130.52 109.81 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 17' ' ' PHE . 11.3 p90 -96.95 92.54 6.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.617 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t80 -161.35 163.97 30.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.036 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -109.52 52.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.377 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -77.81 141.0 39.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -132.16 97.2 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.662 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -57.0 126.26 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.326 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -99.66 29.23 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.46 166.09 27.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.86 69.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.252 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -46.37 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.15 157.19 16.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 29' ' ' SER . 6.6 tt -114.9 134.34 55.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.586 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.4 t -65.23 144.02 57.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.741 HD21 ' HB1' ' A' ' 16' ' ' ALA . 9.5 tp -128.81 126.25 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.34 152.63 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -67.99 132.64 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.59 78.06 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.811 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.21 145.24 25.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.749 ' HB ' HD23 ' A' ' 51' ' ' LEU . 4.6 m -94.58 152.18 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -140.17 137.28 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 111.52 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.26 109.57 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.03 126.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.8 pp -108.59 -24.08 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 2.5 mt-10 -136.56 159.62 41.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.521 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.416 ' CG2' ' HB ' ' A' ' 7' ' ' THR . 11.3 t -148.49 158.39 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 46.0 t80 -165.4 30.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 61.65 99.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.25 31.28 66.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.203 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.807 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.38 94.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.755 0.312 . . . . 0.0 110.284 -179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.6 m-85 -119.61 157.06 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.334 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' CA ' HG22 ' A' ' 59' ' ' ILE . 4.2 ttt180 -121.27 151.58 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.682 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.22 -150.35 12.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.596 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -153.91 150.41 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.491 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -74.87 158.73 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD23 ' HB ' ' A' ' 35' ' ' THR . 4.6 mm? -66.22 -30.51 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.07 92.76 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.06 -32.93 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.6 m -63.49 -37.06 85.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.46 124.59 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -119.92 140.17 51.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.499 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -164.63 -176.45 36.38 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.493 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.807 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 pt -124.07 155.14 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.001 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 65' ' ' ILE . 5.1 p90 -147.56 156.77 45.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.97 141.48 33.21 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.605 2.203 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.793 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.57 -10.27 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.878 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -87.18 11.34 14.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.604 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.502 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 29.1 m-85 -144.76 33.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' ' 60' ' ' PHE . 18.2 mm -130.28 160.39 41.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.501 ' N ' HG22 ' A' ' 65' ' ' ILE . 4.1 t60 -142.08 112.42 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.5 mm? -68.63 123.51 21.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -100.6 -172.56 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.34 95.35 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.92 ' HB3' ' HG2' ' A' ' 12' ' ' LYS . . . -85.88 95.09 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.9 mt 64.03 158.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' N ' HG22 ' A' ' 71' ' ' ILE . 21.5 t -135.78 109.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -123.7 84.9 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.403 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.855 0.36 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 2' ' ' THR . 2.6 t -160.36 97.97 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 116.13 25.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.516 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 6.5 m95 -69.93 120.87 16.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.791 HG22 ' HA ' ' A' ' 42' ' ' TYR . 1.7 m -65.69 160.04 64.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 5' ' ' VAL . 18.6 Cg_endo -58.24 -84.1 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.841 2.361 . . . . 0.0 112.793 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 46.69 45.05 14.39 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 111.21 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -112.16 154.52 25.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.08 34.73 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.85 95.32 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 -72.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.97 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD2' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -163.52 179.19 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.829 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' THR . . . -138.26 -176.4 14.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' HG3' ' A' ' 68' ' ' LYS . 41.4 t -114.89 145.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -121.87 131.83 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.67 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 17.1 p90 -118.8 92.46 3.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 111.02 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.509 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.53 172.73 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 179.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -120.02 60.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.21 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -105.44 136.49 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.244 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -118.37 119.99 36.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -63.75 120.67 12.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -76.26 -22.04 55.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.56 -169.6 18.75 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.79 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.669 0.271 . . . . 0.0 111.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.32 -35.32 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -106.82 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 3.5 tp -132.89 129.57 38.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 53.8 p -70.55 108.94 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.379 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -102.4 128.93 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.116 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -123.3 147.73 46.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.548 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 21.6 mt -60.28 128.89 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.009 0.433 . . . . 0.0 111.192 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.78 -0.89 63.14 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.37 144.76 25.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.871 0.367 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' GLY . 5.3 m -98.39 151.03 20.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.385 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 50' ' ' THR . 4.1 m -140.94 137.12 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.955 0.407 . . . . 0.0 111.795 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -99.44 108.86 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.18 130.53 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.846 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 40' ' ' GLU . 3.9 pp -111.03 -38.49 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -119.62 161.0 21.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.966 179.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.604 HG22 HG23 ' A' ' 5' ' ' VAL . 15.1 m -155.03 162.75 40.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.979 0.418 . . . . 0.0 111.31 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.791 ' HA ' HG22 ' A' ' 5' ' ' VAL . 71.6 t80 -162.98 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.585 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -178.7 102.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.46 28.23 72.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.384 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.698 ' CE3' ' HA ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -168.42 95.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.833 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.2 m-85 -119.8 158.35 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 111.339 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.739 ' HG2' HG22 ' A' ' 59' ' ' ILE . 6.5 mmt85 -106.69 146.24 31.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.275 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 172.76 -174.52 45.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -136.44 144.56 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 110.807 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.468 HG23 HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -71.02 147.49 48.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 13' ' ' TYR . 2.7 mm? -57.89 -30.16 65.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -54.76 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -118.12 93.0 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -74.58 -25.05 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -65.18 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.13 146.84 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 158.12 43.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -179.56 -173.89 45.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.739 HG22 ' HG2' ' A' ' 47' ' ' ARG . 13.2 pt -115.9 160.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 111.483 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.466 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.9 p90 -156.24 148.72 17.82 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 60' ' ' PHE . 6.7 Cg_exo -73.68 135.97 22.61 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.931 2.421 . . . . 0.0 112.397 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.74 -10.12 58.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.674 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -50.76 -25.05 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.606 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 52.6 p90 -134.42 42.67 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 62' ' ' ALA . 31.0 mm -119.93 136.32 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 111.211 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -133.96 112.48 11.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.802 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.0 123.03 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.692 ' HG3' HG23 ' A' ' 15' ' ' VAL . 4.2 mmpt? -105.77 162.79 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.58 -74.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.63 85.66 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.5 115.23 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 72' ' ' VAL . 27.5 m -72.79 116.33 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.63 98.65 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.526 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mmt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.809 0.337 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -114.83 145.11 42.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -122.24 76.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.452 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 38.3 t90 -152.93 29.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.637 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.5 p -128.7 89.17 49.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 111.594 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 41' ' ' THR . 68.6 Cg_endo -87.32 -17.2 2.98 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.069 2.513 . . . . 0.0 112.428 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.428 ' HB ' ' OG1' ' A' ' 41' ' ' THR . 1.1 t -45.92 117.8 1.63 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.02 145.46 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.55 31.59 0.45 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.425 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.38 172.94 8.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -168.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -62.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.42 165.78 26.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.771 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.99 -153.47 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -124.87 150.27 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -125.26 102.9 7.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.9 p90 -97.26 92.38 5.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.771 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.23 174.13 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.903 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -114.42 52.5 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.386 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -79.84 138.52 37.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -129.72 96.82 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.09 149.61 15.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 29.58 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.5 176.56 41.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.28 63.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 111.302 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.24 -14.81 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.406 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -131.5 141.57 49.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.016 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 29' ' ' SER . 6.2 tt -112.14 133.97 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.603 ' O ' HD23 ' A' ' 28' ' ' LEU . 86.9 p -67.31 150.31 49.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.199 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.4 mt -140.72 130.04 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.703 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -119.21 160.05 22.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 42.8 mt -71.67 132.12 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 -3.32 66.56 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.635 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.825 ' O ' HG22 ' A' ' 50' ' ' THR . 1.2 m -91.95 161.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 30' ' ' LEU . 5.6 m -142.27 137.19 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.588 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -105.93 108.52 20.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.158 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 mt -85.02 130.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.86 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.7 pp -118.74 -33.54 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.549 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.86 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -131.87 143.2 50.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.827 HG22 ' CG ' ' A' ' 46' ' ' TYR . 3.1 p -129.16 -179.52 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 4.2 t80 178.15 36.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 56.86 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.781 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.58 35.54 81.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.046 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.802 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.84 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.827 ' CG ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -119.74 146.99 45.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 111.205 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' CA ' HG22 ' A' ' 59' ' ' ILE . 30.3 ttt180 -104.51 151.47 23.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.607 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.02 -159.94 33.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.602 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -147.1 152.25 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -80.23 154.36 27.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.98 -31.13 69.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -69.37 -60.77 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 86.31 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -72.96 -30.53 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 m -64.5 -50.7 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.45 147.74 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HE3' HD21 ' A' ' 39' ' ' LEU . 16.3 mtpt -138.07 148.21 44.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -168.1 -177.71 39.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.484 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.8 pt -117.55 155.06 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.6 p90 -149.29 151.83 34.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 95.2 Cg_endo -80.37 141.83 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.626 2.217 . . . . 0.0 112.343 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -68.07 -9.77 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.865 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -49.24 -25.27 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 42.0 p90 -136.45 29.77 2.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.773 0.321 . . . . 0.0 111.836 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.468 HG13 ' CE1' ' A' ' 60' ' ' PHE . 39.4 mm -107.7 132.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 111.187 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -135.85 114.68 12.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.45 146.76 52.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.06 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -108.09 -172.42 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.29 96.26 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.88 112.99 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.92 123.64 59.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.7 151.31 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.66 126.3 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.623 0.249 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 p -96.94 32.91 2.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.718 0.294 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -92.21 51.34 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.407 . . . . 0.0 110.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -178.2 -171.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.627 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.476 HG13 ' HD2' ' A' ' 6' ' ' PRO . 40.6 t -95.0 137.53 22.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.711 0.291 . . . . 0.0 111.269 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD2' HG13 ' A' ' 5' ' ' VAL . 61.1 Cg_endo -71.51 146.47 49.83 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.551 2.167 . . . . 0.0 112.218 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.763 HG22 HG23 ' A' ' 41' ' ' THR . 5.2 p -86.67 55.68 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -83.31 -179.0 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.09 31.39 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 67' ' ' LEU . 2.5 mt-10 -129.21 -179.8 5.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -119.75 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.56 -75.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.27 177.96 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 178.35 18.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 68' ' ' LYS . 25.8 t -108.48 142.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.22 105.3 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 13.9 p90 -100.7 92.15 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.824 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.76 175.8 11.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.016 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -116.95 57.31 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.104 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -85.48 146.29 27.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.1 115.6 15.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.731 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -56.88 133.28 54.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.33 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.95 41.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.15 -166.87 21.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.372 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.78 70.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.26 -33.8 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.51 163.18 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 29' ' ' SER . 8.2 tt -126.94 128.69 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.66 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -65.66 143.01 57.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD21 ' CG1' ' A' ' 36' ' ' VAL . 4.7 mt -131.81 139.13 48.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.641 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -131.31 164.35 25.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 18.9 mt -71.51 134.43 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -7.41 61.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.741 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.33 143.83 26.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 111.065 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.9 m -102.63 134.99 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 50' ' ' THR . 17.3 m -124.01 141.27 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -97.96 108.36 21.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 46' ' ' TYR . 2.7 mp -64.1 112.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.5 tm? -95.57 -27.56 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.639 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 1.4 mt-10 -144.32 158.71 43.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.763 HG23 HG22 ' A' ' 7' ' ' THR . 34.1 p -132.51 169.4 16.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 46.7 t80 -178.87 35.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.303 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 51.95 94.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.36 28.96 66.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.902 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.855 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.34 92.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.849 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 m-85 -119.25 147.1 44.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.463 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 59' ' ' ILE . 1.1 ttm180 -113.01 123.8 51.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.352 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.12 -176.3 26.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.695 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -124.13 140.35 53.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -73.33 147.95 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' LEU . 3.6 mm? -57.96 -30.83 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -80.58 -45.2 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.08 83.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -74.13 -31.56 62.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.5 t -71.78 -42.03 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -82.73 118.24 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -109.31 152.04 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.54 -168.53 21.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.583 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.855 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 6.2 pt -129.91 155.02 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.1 p90 -155.51 152.83 25.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.461 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 94.1 Cg_endo -79.88 146.3 18.39 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.22 -9.65 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.857 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -49.31 -24.82 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 46.2 p90 -138.96 34.63 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.2 mm -112.36 130.29 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -126.24 132.8 51.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 67' ' ' LEU . 2.5 mm? -82.57 117.84 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 15' ' ' VAL . 6.4 mmtp -74.51 179.07 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.59 108.36 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.35 96.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.5 mp -68.26 124.94 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.055 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.73 121.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.06 173.53 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.264 -1.298 . . . . 0.0 112.524 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.932 0.396 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p 55.71 29.82 14.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -97.89 -168.25 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 3.6 t90 -95.06 20.27 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.831 HG22 ' CG ' ' A' ' 40' ' ' GLU . 4.4 t -127.38 89.28 51.82 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.724 0.297 . . . . 0.0 111.375 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.63 -52.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.401 2.734 . . . . 0.0 112.139 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 7' ' ' THR . 13.0 t -44.12 119.23 1.71 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 166.19 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 60.48 30.3 19.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.85 123.0 43.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.66 36.58 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.92 175.59 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.625 ' CE2' HD11 ' A' ' 51' ' ' LEU . 1.2 p90 -129.67 179.37 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 35' ' ' THR . . . -134.77 -157.18 7.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG23 ' HG3' ' A' ' 68' ' ' LYS . 45.1 t -131.29 154.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.18 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.576 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -130.65 108.37 9.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 29.8 p90 -101.85 92.46 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.129 0.49 . . . . 0.0 110.997 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.51 174.84 12.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.023 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.533 HD21 HD11 ' A' ' 32' ' ' ILE . 7.5 m-80 -120.43 63.8 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.371 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -105.88 141.7 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.133 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.7 151.26 32.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -96.71 131.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.255 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -103.07 29.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.39 176.64 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.272 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.18 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -42.81 91.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -104.27 -176.73 3.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -142.73 129.7 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.7 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 58.7 p -72.2 113.44 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HG11 ' A' ' 36' ' ' VAL . 8.8 mt -110.58 133.9 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.243 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -127.5 156.12 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.533 HD11 HD21 ' A' ' 19' ' ' ASN . 22.5 mt -66.26 131.82 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.81 -1.99 63.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.768 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.4 140.12 30.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' GLY . 21.7 m -91.94 144.79 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.094 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.835 HG11 HD21 ' A' ' 30' ' ' LEU . 15.8 m -134.55 140.37 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -106.84 108.98 20.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.164 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.16 128.69 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.704 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.7 pp -110.51 -33.96 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.178 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.831 ' CG ' HG22 ' A' ' 5' ' ' VAL . 4.1 mt-10 -123.58 166.56 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 40' ' ' GLU . 18.9 p -161.49 -179.18 7.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.196 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.1 t80 179.25 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.638 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 177.04 102.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.57 24.88 60.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.651 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.732 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -160.98 92.05 0.91 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.86 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -119.69 166.55 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 111.337 -179.05 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' ILE . 20.7 ttt180 -122.38 154.39 37.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.517 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 176.36 -164.23 33.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -153.58 134.18 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 36' ' ' VAL . 30.1 p -65.49 143.74 57.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 13' ' ' TYR . 2.1 mt -58.51 -29.47 66.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -33.44 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -126.52 67.59 1.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -65.83 -28.22 68.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.75 -65.94 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.91 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -126.52 171.13 11.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' LEU . . . 179.83 -163.6 30.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.37 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 7.4 pt -118.53 155.07 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 111.404 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -149.28 151.05 33.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 71.8 Cg_endo -77.29 140.51 19.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 0.0 112.396 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.86 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.28 -9.69 54.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.97 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -49.33 -24.81 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' HE1' HD13 ' A' ' 30' ' ' LEU . 26.8 p90 -136.78 25.28 3.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.932 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG13 ' CE1' ' A' ' 60' ' ' PHE . 45.5 mm -99.3 134.45 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -135.01 112.37 10.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.82 146.66 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HG3' HG23 ' A' ' 15' ' ' VAL . 9.4 mttp -119.99 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.27 109.39 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.16 103.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.516 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.3 mp -76.91 148.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 m -105.02 118.24 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.14 127.97 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.499 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -87.94 102.43 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.63 151.43 23.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.498 ' CD1' ' CD2' ' A' ' 42' ' ' TYR . 3.7 t90 -109.47 27.58 9.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.52 HG12 ' CG ' ' A' ' 40' ' ' GLU . 3.7 m -124.87 88.71 53.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 111.606 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HG2' ' OG1' ' A' ' 41' ' ' THR . 86.8 Cg_endo -90.09 -20.02 1.15 Allowed 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.925 2.416 . . . . 0.0 112.475 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.465 ' HB ' ' OG1' ' A' ' 41' ' ' THR . 3.9 t -62.7 120.21 10.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.854 0.359 . . . . 0.0 110.749 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 92.79 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 62.46 148.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -174.97 125.23 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.68 -36.76 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.09 150.03 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.004 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -104.3 169.06 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.23 -172.61 14.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.7 150.13 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -126.87 105.34 8.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.4 p90 -99.52 92.17 5.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -161.67 174.97 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -115.11 51.14 0.93 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.185 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -78.17 136.41 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.308 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -125.81 105.0 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.577 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -62.88 157.22 22.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.372 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -130.72 28.82 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.29 -174.8 38.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.394 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.62 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.47 -31.66 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -120.44 165.04 15.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.577 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.5 tt -132.24 131.84 42.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 92.2 p -65.32 128.48 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.729 HD21 HG11 ' A' ' 36' ' ' VAL . 4.6 mt -119.14 130.98 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.48 159.34 26.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 38.4 mt -70.86 136.28 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.22 -2.64 78.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.728 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.27 147.85 23.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.347 . . . . 0.0 111.213 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 13' ' ' TYR . 5.5 m -97.42 153.63 17.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.322 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG11 HD21 ' A' ' 30' ' ' LEU . 26.9 m -142.19 137.16 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.001 0.429 . . . . 0.0 111.771 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -99.4 108.36 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.218 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.659 HD12 HD21 ' A' ' 67' ' ' LEU . 9.9 mt -78.78 130.29 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.756 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 40' ' ' GLU . 4.1 pp -112.34 -39.94 4.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.078 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.561 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.4 mt-10 -116.39 166.65 11.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.059 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.466 HG22 ' CG ' ' A' ' 46' ' ' TYR . 10.9 p -153.98 176.46 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.8 OUTLIER 176.46 35.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 54.6 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.89 33.94 59.49 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.967 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -178.48 86.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.37 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -119.7 155.55 32.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.965 0.412 . . . . 0.0 111.37 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HG3' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -112.56 149.18 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.696 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.53 -176.72 46.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -130.45 132.51 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -60.9 157.94 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -68.01 -31.11 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.78 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -71.39 -36.46 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.08 99.83 5.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -32.08 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 p -69.1 -29.05 67.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -86.47 137.35 32.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -128.43 156.45 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.761 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -173.36 174.89 46.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 1.7 pt -117.8 155.05 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -155.48 153.87 27.28 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD2' ' CE1' ' A' ' 64' ' ' TYR . 6.1 Cg_exo -73.92 140.87 29.29 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.796 2.331 . . . . 0.0 111.953 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.46 -10.13 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.64 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -49.69 -26.31 3.65 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.704 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CG ' ' CD1' ' A' ' 18' ' ' TYR . 50.6 p90 -135.72 41.55 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.298 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CE1' ' A' ' 60' ' ' PHE . 38.6 mm -123.17 134.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.086 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -137.32 113.53 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.659 HD21 HD12 ' A' ' 38' ' ' ILE . 17.4 mt -77.47 130.14 36.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -115.08 -167.75 1.28 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.61 -153.14 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.433 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.93 -178.0 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.945 0.403 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -123.01 83.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 72' ' ' VAL . 5.9 m -99.94 98.94 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.209 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.97 133.19 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.469 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.737 0.303 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 92.62 3.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 166.95 20.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.507 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.3 111.5 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 m -58.63 131.31 85.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.336 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.05 169.32 20.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.132 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.601 HG23 ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -127.85 87.43 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.838 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -108.83 -178.78 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 62.88 61.14 1.17 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -150.15 -58.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 55.12 29.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HG3' ' HB3' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -145.95 142.46 28.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.68 ' CE2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -103.25 177.03 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.776 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 175.72 21.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.551 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 68' ' ' LYS . 32.5 t -98.8 146.5 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -122.28 106.71 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 7.3 p90 -94.11 92.08 7.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 0.0 110.511 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -161.66 159.02 26.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.122 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -107.0 58.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.083 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.58 134.69 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.412 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -121.91 109.36 14.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -65.02 128.59 36.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -77.88 -26.33 49.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.36 -159.0 9.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.84 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.748 0.308 . . . . 0.0 111.241 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -36.63 70.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -124.16 157.02 35.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 53' ' ' LYS . 7.4 tt -113.46 135.02 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.491 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -70.25 137.9 51.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 36' ' ' VAL . 9.9 mt -119.85 130.0 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.637 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -119.46 145.86 45.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 48.0 mt -61.67 125.87 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -2.13 58.7 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.732 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.32 143.34 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' HD23 ' A' ' 51' ' ' LEU . 2.7 m -94.74 154.25 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -142.13 138.62 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.508 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -97.91 108.54 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.36 133.69 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.732 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 40' ' ' GLU . 1.6 pp -123.9 -36.75 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.658 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.805 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -122.4 151.1 41.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.601 ' CG2' HG23 ' A' ' 7' ' ' THR . 9.4 t -139.18 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.439 ' CG ' ' NE1' ' A' ' 4' ' ' TRP . 52.7 t80 -177.33 36.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.192 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.42 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.615 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 62' ' ' ALA . . . 64.31 36.45 93.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.854 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.858 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -176.65 91.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.472 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.67 147.08 44.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.92 0.391 . . . . 0.0 111.215 -179.417 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' CA ' HG22 ' A' ' 59' ' ' ILE . 6.1 ttm-85 -107.14 144.19 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.71 37.45 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -132.43 139.06 47.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -67.74 149.35 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD11 ' CE2' ' A' ' 13' ' ' TYR . 4.2 mm? -59.32 -30.8 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -73.46 -67.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 28' ' ' LEU . 44.6 pttt -97.89 79.82 2.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -30.66 70.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 m -59.33 -31.14 68.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.09 151.92 21.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -136.12 153.9 51.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.44 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -170.13 -165.34 27.34 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.858 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.4 pt -134.1 166.05 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.3 p90 -159.93 159.0 27.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.8 140.35 31.98 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.968 2.446 . . . . 0.0 112.091 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.55 -10.82 60.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.792 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.31 11.43 16.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.597 0.237 . . . . 0.0 111.44 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' O ' HD13 ' A' ' 65' ' ' ILE . 41.8 m-85 -143.24 33.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 60' ' ' PHE . 14.8 mm -128.28 161.38 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.927 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.486 ' N ' HG22 ' A' ' 65' ' ' ILE . 18.4 t60 -148.54 112.44 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.024 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.2 mm? -69.11 119.31 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 15' ' ' VAL . 7.8 mmtt -112.66 -178.83 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.75 101.19 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.648 ' HB3' ' HG3' ' A' ' 12' ' ' LYS . . . -60.47 112.54 2.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.33 128.75 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' VAL . 9.4 m -117.66 86.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -140.25 84.29 1.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.474 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.742 0.305 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -118.47 27.07 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -40.07 77.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.688 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER 63.07 173.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.214 179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 16.5 t -109.2 140.48 22.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 84.8 Cg_endo -82.35 28.54 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.549 2.166 . . . . 0.0 113.208 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.475 ' CA ' HG22 ' A' ' 41' ' ' THR . 1.9 t 42.72 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 111.96 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -132.28 82.4 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.583 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.89 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.16 -174.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.89 173.41 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -71.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 37' ' ' HIS . 2.6 p90 -136.57 167.74 20.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.831 0.348 . . . . 0.0 111.074 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 35' ' ' THR . . . -142.9 -150.31 5.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.31 143.61 40.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.05 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -113.53 114.23 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 25.3 p90 -106.94 92.26 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.507 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -161.59 176.79 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.962 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -117.68 54.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -82.96 140.38 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.499 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -128.48 102.35 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.553 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.62 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -58.48 164.8 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.396 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 28.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 178.42 42.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.17 64.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -30.33 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.93 163.63 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.979 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt -135.6 136.51 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 28' ' ' LEU . 22.0 p -68.05 137.43 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 36' ' ' VAL . 5.1 mt -129.21 137.39 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.67 159.7 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 8.6 mt -67.17 136.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.227 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.24 -3.36 79.83 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.721 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.36 139.97 30.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.498 HG22 HD23 ' A' ' 51' ' ' LEU . 12.6 m -92.15 145.47 24.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 30' ' ' LEU . 4.6 m -138.51 137.49 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 26.0 t-80 -103.86 114.04 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.456 HG23 ' HB3' ' A' ' 46' ' ' TYR . 3.3 mt -81.21 131.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.616 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.409 HD23 ' HA2' ' A' ' 48' ' ' GLY . 3.9 pp -117.72 -22.39 8.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.997 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.6 OUTLIER -133.41 150.38 51.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.487 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.475 HG22 ' CA ' ' A' ' 7' ' ' THR . 13.7 t -153.67 179.24 9.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.246 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -178.22 -64.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -177.5 101.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.43 26.54 69.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.118 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.702 ' HE3' ' HA ' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -159.43 100.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.8 m-85 -119.64 147.11 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.705 ' HB2' HG22 ' A' ' 59' ' ' ILE . 11.4 ttp180 -114.46 148.58 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.518 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' A' ' 39' ' ' LEU . . . 177.51 -155.61 18.06 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.683 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -146.65 140.93 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.506 HG23 HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.08 151.92 46.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.498 HD23 HG22 ' A' ' 35' ' ' THR . 3.6 mm? -59.5 -30.75 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -78.94 -46.54 18.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.814 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -104.42 86.71 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -77.71 -33.33 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.9 t -70.11 -30.0 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.63 148.48 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -136.09 154.56 50.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' HA3' ' CB ' ' A' ' 28' ' ' LEU . . . -172.39 -175.75 40.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.596 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.705 HG22 ' HB2' ' A' ' 47' ' ' ARG . 13.2 pt -124.02 155.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.7 p90 -151.55 149.43 24.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 73.2 Cg_endo -76.14 138.17 20.07 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -66.57 -9.72 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.914 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.42 -24.61 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 14.6 p90 -135.75 19.4 3.29 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 60' ' ' PHE . 46.5 mm -94.5 144.88 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.228 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -139.69 112.45 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.67 133.91 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.006 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -177.35 6.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -77.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -177.26 105.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mp -135.33 146.45 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.052 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.74 179.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.63 141.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.477 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.828 0.347 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -86.04 -35.46 20.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -136.65 -44.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -68.23 161.83 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 21.5 t -88.06 139.35 30.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' CG1' ' A' ' 5' ' ' VAL . 90.4 Cg_endo -83.75 23.41 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.736 2.29 . . . . 0.0 113.025 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.464 ' HB ' HG22 ' A' ' 41' ' ' THR . 2.1 t 43.34 94.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.794 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -114.54 82.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.76 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 175.27 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.5 160.59 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -94.25 -55.04 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' O ' ' CD2' ' A' ' 37' ' ' HIS . 6.5 ttpt -157.43 -66.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -156.32 168.61 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 35' ' ' THR . . . -135.51 -156.22 7.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -125.69 146.44 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.736 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -120.23 106.77 12.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 12.3 p90 -101.62 92.19 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -161.35 175.89 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.032 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.95 60.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.325 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -101.31 144.88 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.04 154.34 36.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.67 ' HB2' ' N ' ' A' ' 29' ' ' SER . . . -97.16 167.16 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -133.58 29.81 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.65 -171.11 26.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.366 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.0 68.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.13 -31.82 69.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.19 170.65 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.639 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -139.79 134.22 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.67 ' N ' ' HB2' ' A' ' 22' ' ' ALA . 14.8 p -73.75 139.73 45.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.174 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 16' ' ' ALA . 2.2 mt -129.76 137.44 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -130.23 163.8 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 13.3 mt -69.75 134.43 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.85 -5.85 64.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.815 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.28 149.24 21.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 14' ' ' GLY . 7.6 m -102.88 146.6 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.673 HG12 HG23 ' A' ' 50' ' ' THR . 4.9 m -135.04 140.48 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.577 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.5 t-160 -103.15 111.88 24.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.508 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mt -84.13 121.62 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.41 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -110.83 -24.61 10.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.794 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 1.4 mt-10 -131.94 151.14 51.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 ' HB ' ' A' ' 7' ' ' THR . 15.2 t -148.61 -179.7 7.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -177.69 -65.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 179.87 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.05 28.29 60.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.002 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.78 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -164.36 99.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 2.6 m-85 -119.74 160.9 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.48 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' CA ' HG22 ' A' ' 59' ' ' ILE . 20.2 ttt180 -122.08 130.16 53.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.57 -163.54 13.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.618 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -142.75 125.8 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.673 HG23 HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.9 147.47 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.59 -30.57 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -75.62 -33.26 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -118.38 81.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -71.78 -31.36 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.99 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -77.34 -40.87 42.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 136.07 36.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -123.15 150.95 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -165.15 -171.79 31.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.69 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.78 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 3.6 pt -128.85 155.04 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 65' ' ' ILE . 4.4 p90 -149.93 154.52 37.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.6 Cg_endo -77.78 138.9 17.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.461 2.107 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -67.81 -9.72 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.913 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -49.37 -24.59 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.691 ' HE1' ' HB1' ' A' ' 16' ' ' ALA . 40.2 p90 -137.35 24.18 2.96 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 60' ' ' PHE . 32.6 mm -99.9 132.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.166 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -131.18 121.12 24.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.9 mm? -74.2 135.61 42.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -109.62 -175.92 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.89 55.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.89 53.3 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.87 176.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 72' ' ' VAL . 12.3 p -144.91 54.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.17 85.23 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.467 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.898 0.38 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p -108.7 -48.59 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -151.94 -47.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.559 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CE3' HG22 ' A' ' 5' ' ' VAL . 2.0 t90 -119.59 -167.18 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.773 HG22 ' CE3' ' A' ' 4' ' ' TRP . 10.5 m -50.83 141.61 17.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -86.59 115.1 1.26 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.796 2.33 . . . . 0.0 112.389 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.89 ' HB ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -98.47 121.94 41.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.641 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -60.63 178.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -60.4 85.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.6 tp10 -100.35 -63.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 59.07 173.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.86 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 13.7 mttp 60.62 167.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' A' ' 70' ' ' ALA . 2.2 p90 -114.2 166.03 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' THR . . . -127.36 -156.15 9.03 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.439 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.79 149.53 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -123.97 110.96 15.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 16.0 p90 -105.57 92.19 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.442 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -161.69 178.26 9.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.015 179.462 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -117.13 54.36 0.87 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.192 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.44 127.2 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.56 86.16 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.67 163.72 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtt-85 -139.17 30.03 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.31 171.83 39.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.411 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.62 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 111.191 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.1 -32.27 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -104.1 -178.41 3.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.799 HD12 ' CA ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -149.25 130.43 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.9 p -78.39 114.01 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.694 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.7 mt -119.04 142.87 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.61 162.16 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.0 mt -68.64 133.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.28 -5.85 61.16 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.724 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -95.29 147.04 23.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' HD23 ' A' ' 51' ' ' LEU . 26.3 m -98.08 141.86 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.548 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.816 ' CG1' HD21 ' A' ' 30' ' ' LEU . 28.6 m -128.19 143.45 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -102.59 108.31 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.319 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.526 HD13 HD11 ' A' ' 67' ' ' LEU . 5.3 mt -66.86 114.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.144 0.497 . . . . 0.0 111.296 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.905 HD23 ' HG2' ' A' ' 40' ' ' GLU . 6.0 tt -95.13 -48.34 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.548 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.905 ' HG2' HD23 ' A' ' 39' ' ' LEU . 4.7 mm-40 -132.45 155.43 48.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.95 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.89 HG22 ' HB ' ' A' ' 7' ' ' THR . 13.0 t -151.41 171.67 17.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.46 ' CD2' HG12 ' A' ' 5' ' ' VAL . 15.2 t80 -169.82 -66.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.703 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.97 100.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.64 80.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.224 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.857 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.0 88.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 110.337 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.803 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -119.56 147.0 44.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.096 -179.418 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HD2' HD22 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.71 141.05 36.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.14 -165.2 20.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.588 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -149.03 127.49 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -64.64 165.47 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.588 HD23 ' HB ' ' A' ' 35' ' ' THR . 3.9 mm? -74.1 -32.0 63.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -68.54 -50.84 48.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -120.22 75.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HE3' HD13 ' A' ' 51' ' ' LEU . 18.0 mttt -67.23 -30.12 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -70.3 113.44 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -95.45 150.15 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.799 ' CA ' HD12 ' A' ' 28' ' ' LEU . . . -160.69 -175.57 31.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.857 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -123.68 155.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.261 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 5.0 p90 -149.03 151.24 34.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.018 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HD2' ' CE2' ' A' ' 64' ' ' TYR . 7.6 Cg_exo -72.39 143.01 38.09 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.842 2.361 . . . . 0.0 112.419 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -70.66 -10.07 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.884 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.9 p -52.36 -22.67 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' CD1' ' HB2' ' A' ' 18' ' ' TYR . 51.6 p90 -139.35 41.74 2.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 62' ' ' ALA . 23.8 mm -118.37 130.81 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.968 0.414 . . . . 0.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -140.64 114.56 9.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.526 HD11 HD13 ' A' ' 38' ' ' ILE . 9.5 mp -61.85 144.62 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.87 168.87 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.72 94.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.86 ' HB3' ' HG2' ' A' ' 12' ' ' LYS . . . -70.4 113.7 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pt -62.74 137.76 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.1 t -115.17 85.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.032 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 60.37 98.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.487 -1.174 . . . . 0.0 112.429 -179.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mtt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.856 0.36 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.609 HG22 ' CG1' ' A' ' 5' ' ' VAL . 7.7 p -60.01 143.54 51.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.31 -46.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 40' ' ' GLU . 13.3 t90 -122.99 26.47 8.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 p -130.28 88.66 47.1 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.551 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.37 -12.29 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.205 2.603 . . . . 0.0 112.52 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 t -67.38 93.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.249 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 82.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.36 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 4.0 tmm_? 69.85 -71.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 63.19 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.349 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.8 tt0 -167.09 170.31 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 37' ' ' HIS . 2.7 tttp -66.94 -76.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.53 172.86 13.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 35' ' ' THR . . . -145.59 -156.6 6.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' CG ' ' A' ' 68' ' ' LYS . 51.9 t -123.65 154.71 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.575 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -129.02 117.59 21.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 32' ' ' ILE . 26.9 p90 -107.97 92.67 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.984 0.421 . . . . 0.0 110.85 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -160.94 173.32 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -120.08 61.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.395 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -98.14 134.5 41.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.037 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.16 115.7 24.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -72.45 159.24 34.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.317 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -106.86 -28.34 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.4 -161.77 10.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.432 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.03 -27.87 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.5 -35.25 69.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.016 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -176.57 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -141.93 134.29 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.39 110.16 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -102.39 136.54 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -131.58 154.55 48.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 15.2 mt -66.57 133.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.64 -2.88 67.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.631 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.3 143.19 26.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.808 0.337 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 50' ' ' THR . 42.7 m -93.59 136.16 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.406 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' THR . 13.4 m -121.81 137.2 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.626 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' LYS . 2.1 t-80 -101.39 108.14 19.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.91 138.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.436 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -123.37 -45.54 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.444 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . 3.0 mt-10 -133.33 156.71 47.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.288 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 46' ' ' TYR . 71.0 p -138.73 175.62 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.383 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -179.09 37.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.12 100.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.28 88.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.042 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.903 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.82 91.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.633 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.875 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -119.64 147.06 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 111.528 -179.164 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HB2' HG22 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -109.02 138.26 45.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.477 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.85 179.92 44.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.635 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -123.36 146.87 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -77.99 159.32 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.11 -36.25 77.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -59.98 -32.46 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 91.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -67.78 -28.91 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -30.96 66.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.626 ' HG2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.43 130.79 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 134.38 48.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.847 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -158.47 -172.18 25.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.57 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.903 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 2.9 pt -118.7 154.96 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.001 0.429 . . . . 0.0 111.312 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 65' ' ' ILE . 5.7 p90 -154.74 147.99 18.33 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 75.7 Cg_endo -77.93 141.97 19.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.42 2.08 . . . . 0.0 112.395 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . . . -69.68 -9.82 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.917 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.3 p -49.58 -24.68 2.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 22.9 p90 -132.94 18.71 4.14 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.433 HG13 ' CE1' ' A' ' 60' ' ' PHE . 50.6 mm -94.57 145.09 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.369 . . . . 0.0 111.239 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -146.88 114.3 6.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 11' ' ' GLU . 3.8 mm? -57.67 141.65 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -88.5 -177.05 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.98 93.16 9.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.59 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.028 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 71' ' ' ILE . 2.3 pp -126.93 156.96 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 72' ' ' VAL . 15.0 p -76.86 119.8 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.59 145.26 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.567 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.777 0.322 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p 54.8 178.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.71 137.45 25.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.418 ' CZ3' ' HB3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -65.28 117.17 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.825 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG23 HG23 ' A' ' 41' ' ' THR . 2.8 m -58.03 150.58 49.86 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.377 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -88.06 34.43 0.4 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.998 2.465 . . . . 0.0 112.611 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.484 ' HB ' HG22 ' A' ' 41' ' ' THR . 1.7 t 42.82 92.35 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 111.5 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.0 168.08 9.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 mpp_? 60.43 30.14 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.95 176.33 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -62.97 1.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.91 -62.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 2.4 p90 -159.32 164.32 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.73 -175.85 14.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.619 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.737 HG23 ' HG3' ' A' ' 68' ' ' LYS . 21.5 t -103.27 150.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 30' ' ' LEU . . . -125.06 112.98 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 10.0 p90 -103.29 92.21 4.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.611 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 64' ' ' TYR . 24.1 t80 -161.56 163.62 30.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.05 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -111.45 57.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.18 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.39 132.95 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.284 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -122.06 95.68 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.627 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB2' ' C ' ' A' ' 28' ' ' LEU . . . -60.97 144.46 53.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.238 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.82 27.95 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.761 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.96 -179.48 46.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.26 64.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.325 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.41 -40.31 86.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.04 165.61 11.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' C ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt -131.7 135.03 46.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 28' ' ' LEU . 23.5 m -65.74 129.56 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -117.21 135.92 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.611 179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -130.52 148.0 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 17' ' ' PHE . 6.7 mt -62.31 140.61 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.91 -7.56 81.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.834 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.72 136.97 32.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.964 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 m -92.06 131.54 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.49 HG12 ' CG2' ' A' ' 50' ' ' THR . 8.1 m -115.44 138.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.539 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -97.97 108.34 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.66 122.47 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.608 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.69 HD11 ' HD3' ' A' ' 47' ' ' ARG . 4.0 pp -114.82 -25.8 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -131.4 149.78 52.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.617 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.56 HG23 HG23 ' A' ' 5' ' ' VAL . 8.8 t -155.28 179.7 8.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.104 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -177.83 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 179.02 102.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.6 30.46 74.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.976 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.717 ' CZ2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -165.83 99.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 3.5 m-85 -119.63 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.947 0.403 . . . . 0.0 111.416 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.69 ' HD3' HD11 ' A' ' 39' ' ' LEU . 6.3 ttt85 -117.43 144.13 45.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.262 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.72 -157.23 16.49 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.686 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -149.46 141.79 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.992 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.49 ' CG2' HG12 ' A' ' 36' ' ' VAL . 16.2 p -76.0 157.46 33.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.46 -30.56 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -63.93 -65.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 101.09 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -75.57 -33.08 60.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -30.6 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.85 119.51 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -119.37 153.61 34.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' HA3' ' HB2' ' A' ' 28' ' ' LEU . . . -174.75 -177.82 44.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.594 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.717 HD12 ' CZ2' ' A' ' 45' ' ' TRP . 13.4 pt -114.61 155.11 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.616 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 p90 -147.95 156.11 44.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.244 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.6 Cg_exo -63.81 142.4 82.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.645 2.23 . . . . 0.0 111.832 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -70.43 -41.74 72.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.697 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 p -57.13 -23.42 47.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.479 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 35.9 m-85 -104.24 38.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.988 0.423 . . . . 0.0 111.047 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 60' ' ' PHE . 15.7 mm -139.41 158.08 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 65' ' ' ILE . 7.6 t60 -148.64 112.5 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -63.13 131.73 49.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.737 ' HG3' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -101.63 177.63 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.82 179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.92 -58.16 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . . . 62.24 119.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mt 64.21 117.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.89 108.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 60.06 173.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.551 179.975 . . . . . . . . 0 0 . 1 stop_ save_